data_2lrl_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 2lrl _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 ' 4' ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.87 -47.13 78.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.963 0.411 . . . . 1.94 110.285 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -67.53 -35.51 79.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.266 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.12 -43.11 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.82 -44.35 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.906 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.14 -42.56 90.96 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.509 -0.552 . . . . 1.04 109.509 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.88 97.38 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.94 -42.69 99.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.391 . . . . 0.0 110.202 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.02 -44.27 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 1.05 109.763 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.429 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 86.9 mt -63.54 -43.99 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 1.02 110.02 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.01 -46.43 90.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.771 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -59.93 -44.67 94.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.963 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.01 -41.93 99.7 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.44 -44.08 95.56 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.64 -48.85 78.32 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.853 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.89 -45.93 92.64 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -55.42 -43.77 75.64 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.22 -41.99 98.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.721 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.92 77.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.49 -41.35 89.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.617 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.33 89.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.775 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.36 90.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.671 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.23 -45.63 93.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.369 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.692 ' NZ ' ' NE2' ' A' ' 31' ' ' GLN . 66.4 tttm -55.08 -43.17 73.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.42 -41.95 90.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.763 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.4 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.684 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.19 -30.04 70.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.149 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.692 ' NE2' ' NZ ' ' A' ' 27' ' ' LYS . 88.3 mt-30 -82.98 -4.46 58.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.435 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.51 17.72 67.94 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -99.78 79.52 2.24 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.792 0.33 . . . . 0.0 110.301 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.6 -33.87 76.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.664 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.97 81.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.027 0.442 . . . . 0.0 110.763 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.1 79.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.351 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.92 81.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.578 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -61.1 -43.02 99.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.597 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.6 99.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.758 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.1 mtt -65.72 -41.96 91.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.469 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.3 mtm -64.14 -41.35 97.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.667 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.41 -45.45 93.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.491 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.86 -40.76 97.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.5 m -61.22 -45.45 94.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.517 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -61.11 -42.38 98.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.267 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.71 -43.54 97.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.197 0.522 . . . . 0.0 110.611 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.89 99.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.24 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.97 -39.86 94.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.58 -42.2 98.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.24 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.04 -40.54 91.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.215 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.39 -43.76 80.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.445 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.66 -38.16 89.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.13 110.387 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.09 -44.18 97.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.313 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.4 -43.19 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.04 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.444 ' NE2' ' CB ' ' A' ' 77' ' ' ALA . 11.8 tp-100 -60.27 -42.94 96.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.226 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -57.08 -42.6 81.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 1.03 110.062 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -62.19 -38.52 89.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.985 0.422 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.96 -30.11 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.67 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.443 ' CD1' HE21 ' A' ' 78' ' ' GLN . 84.6 mt -83.7 -32.98 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.049 -0.523 . . . . 1.01 110.885 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.461 0.101 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.4 mt -57.41 -45.89 84.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.613 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.19 -47.39 90.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.913 0.387 . . . . 0.0 110.598 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.81 -41.81 97.82 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 116.204 -0.453 . . . . 1.03 110.886 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.87 -47.7 90.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.766 -0.652 . . . . 1.12 110.201 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -58.99 -46.26 88.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.832 0.349 . . . . 0.0 110.355 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' CB ' ' NE2' ' A' ' 55' ' ' GLN . . . -64.42 -44.06 92.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.434 -0.348 . . . . 1.01 110.634 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.443 HE21 ' CD1' ' A' ' 59' ' ' ILE . 84.6 mt-30 -61.99 -40.1 94.47 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.256 -0.429 . . . . 1.89 110.2 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.1 tp -56.99 -46.47 82.22 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.374 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -67.79 -46.7 71.21 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.679 -0.408 . . . . 0.13 110.734 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.7 -46.13 91.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.839 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.488 ' SD ' ' CD2' ' B' ' 79' ' ' LEU . 80.1 mtp -63.43 -42.9 98.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.212 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.477 ' HG1' ' H ' ' A' ' 84' ' ' SER . 20.2 p -64.41 -48.39 75.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.09 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.477 ' H ' ' HG1' ' A' ' 83' ' ' THR . 11.5 t -61.45 -49.11 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.465 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 tpp -57.67 -47.78 81.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.592 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.9 -44.75 96.15 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.027 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -48.16 82.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.9 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -58.44 -45.39 88.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.12 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.1 mt-10 -61.33 -43.66 98.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.042 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.23 -42.77 96.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.156 0.503 . . . . 0.0 109.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.1 mt -60.43 -42.49 91.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.278 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.0 m -57.53 -46.02 84.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.057 0.456 . . . . 0.0 109.904 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.425 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 99.5 mt-10 -63.35 -43.2 98.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.594 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.32 -42.84 92.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.368 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.62 -42.72 95.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.482 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.96 -39.22 88.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.28 -42.27 99.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.91 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -59.33 -39.59 83.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.73 -41.93 96.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.175 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.58 -37.72 88.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.186 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.421 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.558 0.218 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.93 -46.97 79.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.931 0.396 . . . . 1.94 110.396 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.69 -35.5 78.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.215 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.06 -43.24 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.91 -44.3 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.889 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.12 -42.24 90.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.506 -0.553 . . . . 1.05 109.506 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.32 -41.51 96.59 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.13 -42.27 99.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.828 0.347 . . . . 0.0 110.363 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.57 -44.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 1.08 109.657 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.416 HD13 HG23 ' B' ' 13' ' ' ILE . 88.2 mt -63.24 -44.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.991 -0.55 . . . . 1.02 109.939 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -60.77 -46.75 89.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.772 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 12.0 t -59.36 -44.66 92.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.191 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.35 -42.09 99.72 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.15 -43.55 98.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.08 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.845 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.53 -45.66 93.0 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -55.75 -43.61 76.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.21 -42.22 99.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.652 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.23 -48.73 78.09 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.414 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.0 m-85 -59.45 -41.36 89.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.669 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.12 90.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.697 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.32 90.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.6 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.55 -45.19 95.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.319 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.686 ' NZ ' ' NE2' ' B' ' 31' ' ' GLN . 66.4 tttm -55.59 -43.0 75.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -59.75 -41.46 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.869 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.49 91.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.776 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.18 -30.15 70.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.044 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.686 ' NE2' ' NZ ' ' B' ' 27' ' ' LYS . 88.3 mt-30 -82.82 -4.75 58.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.77 18.06 66.55 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -100.01 78.98 2.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.32 . . . . 0.0 110.326 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -64.49 -33.71 76.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.543 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.33 80.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.02 79.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.418 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.1 80.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.512 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -60.89 -43.32 98.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.524 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.95 99.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.737 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 60.8 mtt -65.47 -42.15 92.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 74.2 mtm -63.75 -41.77 97.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.63 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.26 -45.37 93.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.446 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.66 -41.2 98.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.31 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.8 m -60.8 -45.9 92.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.479 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -60.68 -42.27 96.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.358 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.77 -43.8 97.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.345 0.593 . . . . 0.0 110.671 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.95 99.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.115 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.92 -39.62 93.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.75 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.85 -42.06 98.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.322 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.06 -40.67 91.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.209 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.12 -44.11 80.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.418 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.51 -38.17 88.88 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.13 110.261 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.04 -43.96 98.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.32 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.63 -43.2 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.119 0.485 . . . . 0.0 110.003 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.463 ' NE2' ' CB ' ' B' ' 77' ' ' ALA . 11.7 tp-100 -60.45 -42.67 96.6 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.256 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -57.58 -42.37 83.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 1.03 109.964 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -62.09 -38.91 90.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 0.0 110.531 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.45 -30.45 71.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.747 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.44 ' CD1' HE21 ' B' ' 78' ' ' GLN . 83.6 mt -83.4 -33.0 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.035 -0.529 . . . . 1.01 110.771 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.853 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 121.043 0.449 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.42 -45.57 93.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.569 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.38 -46.54 95.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.617 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.32 -41.42 96.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 1.03 110.97 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.09 -47.33 92.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.768 -0.651 . . . . 1.12 110.249 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.553 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 58.7 t-80 -59.5 -46.16 89.63 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.866 -0.334 . . . . 2.11 110.297 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.463 ' CB ' ' NE2' ' B' ' 55' ' ' GLN . . . -64.09 -44.21 93.02 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.942 0.401 . . . . 1.01 110.457 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.44 HE21 ' CD1' ' B' ' 59' ' ' ILE . 85.0 mt-30 -62.15 -40.42 95.91 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 116.141 -0.482 . . . . 1.89 110.194 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.488 ' CD2' ' SD ' ' A' ' 82' ' ' MET . 44.2 tp -56.67 -46.49 81.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.389 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.553 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 77.8 m-70 -68.12 -46.18 71.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.387 -0.37 . . . . 0.14 110.688 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.23 -46.21 91.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.849 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' MET . . . . . 0.485 ' SD ' ' CD2' ' C' ' 79' ' ' LEU . 80.1 mtp -63.19 -43.01 99.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.254 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.473 ' HG1' ' H ' ' B' ' 84' ' ' SER . 20.3 p -64.36 -48.3 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.473 ' H ' ' HG1' ' B' ' 83' ' ' THR . 11.2 t -61.25 -49.01 78.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.612 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpp -57.82 -48.01 80.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.469 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.63 -44.6 96.69 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.143 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.81 84.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.933 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -58.37 -45.56 88.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.186 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.9 mt-10 -61.37 -43.66 98.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.17 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.09 -42.67 96.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 110.018 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 80.5 mt -60.64 -42.32 91.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.254 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 86.1 m -57.77 -45.62 85.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.069 0.462 . . . . 0.0 109.86 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.421 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.6 mt-10 -63.8 -42.97 97.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.519 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.425 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 76.0 mt -59.48 -43.12 93.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.34 -42.92 95.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.489 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.58 -39.61 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.731 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.12 -41.98 98.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.876 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -59.5 -39.52 84.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.759 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.92 -41.95 97.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.076 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.62 -37.52 87.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.215 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.387 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.596 0.236 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.87 -47.13 79.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 1.94 110.361 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.4 -35.48 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.36 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.16 -42.96 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.337 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t -60.91 -44.27 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.032 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.7 mtp -59.26 -42.29 90.8 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.616 -0.513 . . . . 1.05 109.616 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -41.74 97.1 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -63.0 -42.88 99.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.342 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.0 -44.13 99.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 1.09 109.727 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.38 -43.95 98.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.049 -0.523 . . . . 1.02 110.033 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.19 -46.3 91.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.791 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.93 -44.55 94.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.126 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.41 -42.2 99.72 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.94 -43.84 97.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -49.3 77.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.748 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.64 -45.46 93.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 67.1 m -55.64 -44.21 76.92 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.74 -42.19 98.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.784 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -48.88 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.425 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.3 m-85 -59.52 -41.23 89.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.537 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.38 90.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.71 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.12 91.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.581 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.56 -45.13 95.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.371 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . 0.681 ' NZ ' ' NE2' ' C' ' 31' ' ' GLN . 66.4 tttm -55.68 -42.67 75.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -60.11 -40.99 91.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.92 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.86 92.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.805 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.92 -30.26 70.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.049 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.681 ' NE2' ' NZ ' ' C' ' 27' ' ' LYS . 88.3 mt-30 -82.52 -5.07 58.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.475 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.06 18.15 65.66 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.17 79.27 2.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.722 0.296 . . . . 0.0 110.318 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -64.79 -33.74 76.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.558 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.24 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.986 0.422 . . . . 0.0 110.617 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.37 -34.78 79.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.07 80.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.541 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -60.95 -43.33 98.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.601 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.26 99.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.39 -42.06 93.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 73.8 mtm -63.86 -41.78 97.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.638 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.36 -45.48 92.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.415 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.57 -40.85 98.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.288 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -61.18 -45.52 94.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.531 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -61.26 -41.77 97.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.319 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -61.06 -43.83 98.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.343 0.592 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.99 99.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.367 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.97 -39.47 93.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.731 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -62.27 -41.72 98.72 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.35 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.22 -40.77 90.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.95 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.31 -43.84 80.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.421 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.592 ' CD2' ' OD1' ' D' ' 312' ' ' ASN . 84.3 t60 -62.66 -38.26 89.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.14 110.282 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.09 -43.93 98.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.357 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.55 -43.25 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.963 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.467 ' NE2' ' CB ' ' C' ' 77' ' ' ALA . 11.7 tp-100 -60.26 -43.05 96.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.27 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -57.2 -42.46 81.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 1.03 110.147 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -62.21 -38.4 89.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.916 0.388 . . . . 0.0 110.513 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.79 -30.35 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.77 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.429 ' CD1' HE21 ' C' ' 78' ' ' GLN . 82.8 mt -83.5 -32.94 9.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.942 -0.572 . . . . 1.01 110.88 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 80.1 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.428 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 CA--C 1.518 -0.257 0 CA-C-O 120.697 0.284 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.81 -47.21 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 130.213 3.405 . . . . 0.0 110.606 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.07 -41.42 90.77 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.075 0.464 . . . . 1.03 111.017 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.16 -48.05 89.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.78 -0.645 . . . . 1.13 110.231 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.543 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 58.6 t-80 -58.91 -46.69 87.3 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.867 -0.333 . . . . 1.96 110.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.467 ' CB ' ' NE2' ' C' ' 55' ' ' GLN . . . -64.03 -43.85 94.32 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 1.01 110.427 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . 0.429 HE21 ' CD1' ' C' ' 59' ' ' ILE . 84.9 mt-30 -62.24 -40.31 95.72 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.308 -0.405 . . . . 1.89 110.235 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . 0.485 ' CD2' ' SD ' ' B' ' 82' ' ' MET . 45.9 tp -57.1 -46.12 82.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.487 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.543 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 78.0 m-70 -68.28 -46.27 70.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.3 -0.409 . . . . 0.13 110.662 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.09 -46.13 91.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.884 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 81.3 mtp -63.43 -42.87 98.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.307 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.491 ' HG1' ' H ' ' C' ' 84' ' ' SER . 20.4 p -64.35 -48.39 75.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.125 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.491 ' H ' ' HG1' ' C' ' 83' ' ' THR . 11.5 t -61.2 -49.22 78.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.558 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpp -57.52 -47.94 80.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.709 0.29 . . . . 0.0 110.557 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.7 -44.8 96.25 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.187 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.87 83.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -58.5 -45.65 88.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.198 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.96 -43.7 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.194 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.24 -43.03 96.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.134 0.492 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.24 -42.14 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.387 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 88.5 m -57.96 -45.48 86.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.068 0.461 . . . . 0.0 109.972 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.93 -42.82 97.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.504 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.421 ' CD1' ' OE1' ' B' ' 93' ' ' GLU . 77.0 mt -59.48 -43.01 93.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.48 -42.79 95.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.636 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.49 -39.9 89.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.83 -42.4 98.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.832 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -59.23 -39.7 83.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' C' ' 103' ' ' ALA . 83.4 tt0 -60.66 -42.17 96.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.094 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.4 -37.52 87.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.147 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -64.91 -41.58 95.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.35 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.31 -6.59 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 121.877 0.846 . . . . 0.0 108.95 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.72 143.06 36.84 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.06 156.31 38.5 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.984 -1.072 . . . . 0.0 109.554 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.16 149.11 28.41 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.39 18.85 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.976 -1.077 . . . . 0.0 108.41 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.84 144.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.69 136.62 36.96 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 122.142 0.973 . . . . 0.0 110.142 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -85.0 114.29 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.84 -4.29 19.42 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.896 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.62 141.77 85.48 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.629 -1.919 . . . . 0.0 110.609 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.46 -47.64 12.85 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.769 3.646 . . . . 0.0 114.156 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.592 ' OD1' ' CD2' ' C' ' 52' ' ' HIS . 99.9 m-20 -102.1 27.47 6.6 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 116.131 -2.228 . . . . 0.0 108.842 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.56 -130.03 31.18 Favored Glycine 0 N--CA 1.497 2.708 0 C-N-CA 117.734 -2.174 . . . . 0.0 109.571 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.68 77.42 1.59 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.003 -1.292 . . . . 0.0 109.51 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.06 175.04 9.79 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 117.867 -1.533 . . . . 0.0 112.153 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 65.5 p -22.98 -69.99 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 117.257 2.318 . . . . 0.0 117.257 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -44.8 -65.47 0.62 Allowed Pre-proline 0 N--CA 1.494 1.727 0 C-N-CA 120.141 -0.624 . . . . 0.0 112.553 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.49 -32.21 59.87 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 C-N-CA 121.865 1.71 . . . . 0.0 111.473 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.88 86.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.153 -0.967 . . . . 0.0 109.485 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.73 72.59 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.9 -39.39 94.08 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.975 -1.49 . . . . 0.0 109.551 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.542 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.36 93.17 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.573 1.178 . . . . 0.0 108.686 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.69 -42.17 95.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.654 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.429 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 92.1 mttt -63.96 -40.24 95.97 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.282 -0.886 . . . . 0.0 109.762 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.71 -39.67 80.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.448 -0.782 . . . . 0.0 109.62 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.96 92.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.571 -1.331 . . . . 0.0 109.395 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.29 -16.31 44.3 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 121.281 -0.887 . . . . 0.0 113.303 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.54 86.09 Favored Glycine 0 N--CA 1.477 1.431 0 O-C-N 119.913 -1.742 . . . . 0.0 109.337 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.416 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.49 143.38 32.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.24 -1.741 . . . . 0.0 110.018 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.57 -30.06 59.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.243 -0.91 . . . . 0.0 112.362 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.8 158.52 10.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 119.789 -1.82 . . . . 0.0 112.801 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.59 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.27 35.35 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 102.838 -3.023 . . . . 0.0 102.838 171.306 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.68 136.62 60.28 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 CA-C-O 122.208 1.004 . . . . 0.0 109.29 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.407 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.99 143.14 51.05 Favored 'General case' 0 C--N 1.285 -2.221 0 CA-C-O 123.154 1.454 . . . . 0.0 110.018 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.407 ' N ' HG23 ' D' ' 334' ' ' THR . 85.9 t -108.11 129.89 61.57 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.692 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.34 119.57 26.55 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.845 -1.16 . . . . 0.0 108.961 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.6 122.61 39.26 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.909 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.82 38.9 24.47 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.931 -1.106 . . . . 0.0 112.712 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 10.96 83.64 Favored Glycine 0 N--CA 1.502 3.041 0 O-C-N 119.934 -1.728 . . . . 0.0 112.577 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.31 54.53 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.79 158.53 33.13 Favored 'General case' 0 C--N 1.275 -2.645 0 CA-C-O 123.776 1.75 . . . . 0.0 112.444 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.75 151.38 31.31 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-N 112.396 -2.184 . . . . 0.0 108.572 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.639 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.61 135.99 48.85 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.98 -6.76 47.53 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.674 -1.266 . . . . 0.0 110.763 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.639 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.54 12.93 31.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.717 -1.239 . . . . 0.0 109.295 -177.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.3 t -133.01 104.17 6.41 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.141 0.972 . . . . 0.0 110.179 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.27 -37.94 73.13 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.9 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -58.89 -51.35 70.4 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.539 -1.351 . . . . 0.0 113.094 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.43 70.52 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 119.537 -1.977 . . . . 0.0 109.221 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.75 -33.75 75.8 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.004 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.521 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.62 -10.42 51.98 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.649 -0.657 . . . . 0.0 109.947 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.5 p -89.91 -7.63 53.71 Favored 'General case' 0 N--CA 1.502 2.139 0 C-N-CA 118.086 -1.446 . . . . 0.0 110.901 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.0 mt -93.36 159.26 15.33 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.21 -0.931 . . . . 0.0 110.153 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.65 104.81 2.96 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 106.981 -2.448 . . . . 0.0 106.981 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.5 mt -119.62 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.142 0 O-C-N 120.664 -1.492 . . . . 0.0 107.381 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 5.2 p -81.41 172.61 13.33 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.228 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -60.72 140.92 57.35 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.401 -0.92 . . . . 0.0 109.83 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.2 79.25 Favored Glycine 0 N--CA 1.501 2.987 0 C-N-CA 120.047 -1.073 . . . . 0.0 111.361 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.35 135.85 34.13 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.891 -1.358 . . . . 0.0 110.748 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.6 t -96.45 123.74 48.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.2 m -112.22 160.1 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.298 0 C-N-CA 117.373 -1.731 . . . . 0.0 110.619 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.6 m -108.89 128.37 54.86 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 120.503 -1.373 . . . . 0.0 107.598 175.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.84 121.36 60.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.21 50.7 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.41 47.17 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 118.481 -1.288 . . . . 0.0 109.743 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.83 6.43 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 118.595 -1.242 . . . . 0.0 108.019 178.211 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.32 40.15 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 117.918 -2.086 . . . . 0.0 110.295 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.67 82.84 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 114.363 -0.918 . . . . 0.0 112.161 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.04 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 118.934 -2.353 . . . . 0.0 108.588 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.32 -33.51 65.65 Favored 'General case' 0 N--CA 1.522 3.167 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.426 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.97 -45.63 26.83 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 119.547 -1.971 . . . . 0.0 110.914 -176.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.783 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.74 97.86 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.58 77.36 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 117.55 -1.66 . . . . 0.0 110.085 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.91 -42.12 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 CA-C-O 122.182 0.992 . . . . 0.0 109.262 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.9 -47.95 76.51 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.016 0.912 . . . . 0.0 108.707 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.783 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.29 76.64 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.705 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.542 HD22 ' CE1' ' D' ' 322' ' ' PHE . 79.9 mt -75.65 -28.57 58.81 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.37 -1.456 . . . . 0.0 110.837 -174.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.52 71.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.479 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.15 63.49 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.31 -45.15 84.5 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 118.946 -1.101 . . . . 0.0 110.553 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.41 -37.37 85.56 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.94 -1.1 . . . . 0.0 111.526 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.87 -31.89 61.73 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.136 -0.977 . . . . 0.0 110.216 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.82 -32.32 46.2 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.478 -0.763 . . . . 0.0 111.372 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 125.44 12.14 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 124.293 1.997 . . . . 0.0 112.916 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.896 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 11.3 pt-20 . . . . . 0 C--N 1.277 -2.58 0 CA-C-N 111.167 -2.742 . . . . 0.0 110.138 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.0 mt . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.37 -44.53 87.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.872 0.368 . . . . 1.94 110.216 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -67.2 -36.24 81.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.193 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -64.01 -42.24 95.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.27 -44.81 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.932 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.44 -41.75 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.5 -0.555 . . . . 1.04 109.5 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.43 -41.92 97.83 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.8 -42.91 99.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.227 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.32 -44.05 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 1.05 109.721 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.411 ' CD1' ' CE ' ' D' ' 324' ' ' LYS . 88.8 mt -63.51 -44.56 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 1.02 109.984 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -60.97 -46.11 92.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.776 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -60.54 -43.45 97.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.941 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.441 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.42 -43.27 98.49 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.501 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 92.5 mm-40 -62.2 -44.47 96.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.05 81.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.877 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.522 ' NH2' ' OG1' ' A' ' 83' ' ' THR . 42.9 ttm180 -61.23 -46.11 91.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -56.62 -43.18 79.94 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.27 -41.83 98.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.708 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.32 79.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -60.43 -41.01 93.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.572 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.5 95.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.815 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.33 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.714 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.44 -45.39 94.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.508 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.15 -42.68 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.31 -41.22 93.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.772 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.35 95.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.745 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.24 -29.91 70.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.119 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -80.07 -4.16 51.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.46 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.4 13.76 72.76 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.33 79.76 2.57 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.766 0.317 . . . . 0.0 110.3 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -64.96 -33.69 76.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.624 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.42 78.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.086 0.469 . . . . 0.0 110.753 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.38 80.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.91 88.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.86 -40.53 97.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.616 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.6 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.742 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.6 mmm -64.63 -40.41 95.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.47 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 4.2 mmt -62.57 -41.64 99.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.608 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.96 -42.74 99.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 0.0 110.584 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -62.7 -39.8 95.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.213 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 t -61.95 -45.22 94.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.516 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -60.66 -42.25 96.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.349 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.7 mtt -61.96 -43.13 99.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 110.572 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.95 96.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.192 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.19 -40.31 94.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.657 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.9 -42.16 97.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.3 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.37 -40.45 93.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.204 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.32 83.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.469 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -62.65 -37.84 87.97 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.03 -0.532 . . . . 0.13 110.412 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.22 -44.36 97.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.338 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.99 -43.75 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.055 0.455 . . . . 0.0 110.027 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.477 ' NE2' ' CB ' ' A' ' 77' ' ' ALA . 5.6 tp-100 -60.69 -42.81 97.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -55.99 -43.78 77.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 1.03 110.027 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.41 -39.95 89.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 110.563 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.96 -38.13 82.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.702 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.414 HD13 HG23 ' A' ' 59' ' ' ILE . 95.4 mt -67.93 -39.79 82.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.048 -0.523 . . . . 1.01 110.882 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.474 -179.112 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.2 p . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.66 -44.68 81.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.578 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.28 -45.71 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.54 -39.69 91.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.283 -0.417 . . . . 1.03 110.93 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.4 t -59.46 -47.35 91.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.752 -0.658 . . . . 1.12 110.227 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -58.18 -45.6 87.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.759 0.314 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.477 ' CB ' ' NE2' ' A' ' 55' ' ' GLN . . . -63.32 -40.83 98.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.552 -0.294 . . . . 1.01 110.586 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.406 HE21 ' HG2' ' A' ' 55' ' ' GLN . 85.6 mm-40 -62.32 -40.46 96.4 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.238 -0.437 . . . . 1.89 110.209 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.3 tp -57.43 -46.47 83.53 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.375 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -67.78 -47.47 69.09 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.737 -0.385 . . . . 0.13 110.736 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -60.95 -45.79 93.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.849 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.28 -43.29 99.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.193 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.522 ' OG1' ' NH2' ' A' ' 19' ' ' ARG . 22.5 p -63.74 -46.15 86.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.092 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.444 ' H ' ' HG1' ' A' ' 83' ' ' THR . 66.8 m -62.12 -50.1 73.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.413 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.2 ttp -57.45 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.562 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.01 -43.89 97.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.16 82.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.825 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.8 ttt-85 -58.88 -45.82 89.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.068 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.48 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -60.59 -44.2 96.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.096 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.44 -42.6 95.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.182 0.515 . . . . 0.0 109.863 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.89 -42.36 92.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.326 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.47 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 81.8 m -58.18 -45.91 86.7 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.421 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 98.8 mt-10 -63.2 -43.3 98.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.57 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.557 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 74.7 mt -59.82 -43.02 94.73 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.97 -43.08 95.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.498 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -62.1 -39.07 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.81 -41.76 99.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.9 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.557 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -60.08 -39.18 85.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.048 0.452 . . . . 0.0 109.811 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.78 -40.33 94.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.178 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' HZ2' ' CD2' ' B' ' 98' ' ' HIS . 98.1 mttt -63.98 -38.32 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.197 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.351 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.556 0.217 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.36 -44.71 86.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.986 0.422 . . . . 1.94 110.345 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -66.71 -36.15 81.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.162 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.47 -42.12 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.338 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -60.47 -44.54 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.898 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.6 -41.79 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.512 -0.551 . . . . 1.05 109.512 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.16 97.58 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.54 -42.71 99.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.857 0.36 . . . . 0.0 110.409 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.433 HG23 HD12 ' B' ' 12' ' ' ILE . 92.0 mt -63.65 -43.92 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 1.08 109.719 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.401 HD13 HG23 ' B' ' 13' ' ' ILE . 88.0 mt -63.56 -44.64 98.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.946 -0.57 . . . . 1.02 109.997 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -60.81 -45.99 92.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.849 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -60.82 -43.13 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.196 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.86 -42.65 98.35 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -62.79 -44.35 96.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.86 82.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.944 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OG1' ' B' ' 83' ' ' THR . 43.0 ttm180 -61.02 -46.36 91.07 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -56.33 -43.59 79.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.11 -41.89 98.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.719 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.17 -48.63 78.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.48 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 23.4 m-85 -60.19 -40.88 91.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.677 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.72 95.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.743 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.5 90.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.617 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.39 -45.55 93.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.322 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.19 -42.44 73.24 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.74 -40.99 94.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.848 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.35 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.761 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.22 -30.04 70.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.094 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -79.93 -4.33 51.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.453 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.61 13.77 72.13 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.14 79.74 2.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.835 0.35 . . . . 0.0 110.304 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -65.09 -33.61 76.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.708 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.95 76.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.004 0.43 . . . . 0.0 110.755 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.37 80.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.434 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.23 86.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.527 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.61 -40.89 98.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.572 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.51 96.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.702 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 94.7 mmm -64.88 -40.54 95.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.48 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 4.0 mmt -62.51 -41.79 99.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.562 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -62.6 -42.91 99.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.41 -39.95 94.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.279 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -62.04 -45.23 94.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.422 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.55 -42.13 95.94 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.318 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -61.93 -43.49 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.301 0.572 . . . . 0.0 110.681 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.86 97.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.104 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.52 -40.05 92.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.75 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -61.19 -41.82 97.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.379 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.76 -40.2 91.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.084 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.28 82.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.435 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.79 -37.73 87.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.13 110.308 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.34 -44.42 97.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.365 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.92 -44.08 96.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.128 0.489 . . . . 0.0 110.044 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.491 ' NE2' ' CB ' ' B' ' 77' ' ' ALA . 5.6 tp-100 -60.35 -42.74 96.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.257 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.11 -43.69 78.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 1.03 109.966 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.6 -39.72 89.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.958 0.409 . . . . 0.0 110.561 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.18 -37.95 81.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.703 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.402 HD13 HG23 ' B' ' 59' ' ' ILE . 95.2 mt -67.96 -39.86 82.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 1.01 110.839 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 -179.229 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.435 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 52.4 p . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 121.057 0.456 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.29 -44.28 92.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.499 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.79 -45.01 99.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.435 ' H ' ' HG ' ' B' ' 71' ' ' SER . 87.2 mt -61.92 -39.29 91.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.067 0.46 . . . . 1.03 110.919 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.52 -47.13 91.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.825 -0.625 . . . . 1.12 110.248 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.627 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 58.8 t-80 -58.25 -46.14 86.51 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.893 -0.323 . . . . 2.11 110.302 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.491 ' CB ' ' NE2' ' B' ' 55' ' ' GLN . . . -62.96 -40.9 99.09 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.818 0.342 . . . . 1.01 110.361 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -62.25 -40.45 96.23 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.158 -0.473 . . . . 1.89 110.259 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.9 tp -57.71 -46.17 84.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.376 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.627 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 87.4 m-70 -67.96 -47.06 69.66 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.756 -0.378 . . . . 0.14 110.746 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.32 -45.69 93.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.876 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.31 -43.12 99.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.255 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.529 ' OG1' ' NH2' ' B' ' 19' ' ' ARG . 23.6 p -63.99 -45.88 87.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.185 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.438 ' H ' ' HG1' ' B' ' 83' ' ' THR . 67.0 m -62.19 -50.16 72.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.617 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.3 -48.15 79.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.429 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.01 -43.76 98.16 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.109 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.14 82.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.894 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -58.81 -46.07 88.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.243 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.498 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.1 mt-10 -60.26 -44.43 95.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.056 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.32 -42.42 96.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 110.06 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.97 -42.62 93.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.194 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.48 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 72.6 m -58.04 -45.94 86.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.077 0.465 . . . . 0.0 109.857 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.412 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.3 mt-10 -62.97 -43.42 98.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.506 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.1 mt -59.68 -42.91 93.99 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.3 mt -61.24 -43.09 95.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.55 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.74 -39.65 92.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.731 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.2 -42.23 99.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.864 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -59.65 -39.49 84.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.759 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.66 -40.39 94.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.143 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . 0.419 ' HZ2' ' CD2' ' C' ' 98' ' ' HIS . 98.0 mttt -63.9 -38.56 91.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.173 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 60.9 mt . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.597 0.237 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.11 -44.8 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.813 0.339 . . . . 1.94 110.353 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -66.69 -36.21 81.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.28 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 88.5 t -64.14 -42.8 96.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.311 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.81 -44.65 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.049 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.66 -41.8 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.545 -0.539 . . . . 1.05 109.545 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.08 97.96 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.65 -42.73 99.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.884 0.373 . . . . 0.0 110.412 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.49 -43.95 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.973 -0.558 . . . . 1.09 109.715 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.4 -44.74 99.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.013 -0.539 . . . . 1.02 110.041 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -60.73 -46.01 92.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.807 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -60.7 -43.55 97.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.155 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.51 -42.91 98.8 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -62.38 -44.6 96.08 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.51 80.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.798 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OG1' ' C' ' 83' ' ' THR . 42.9 ttm180 -60.72 -46.53 90.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -56.41 -43.33 79.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -62.12 -41.79 98.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.671 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.03 77.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.498 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -59.86 -41.42 91.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.536 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.63 94.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.655 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.12 91.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.551 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.83 -45.11 95.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.418 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.55 -42.4 74.58 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.8 -41.04 94.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.935 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.23 94.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.795 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.55 -29.63 70.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.052 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -80.23 -4.34 52.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.43 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.89 13.45 72.08 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -97.84 79.93 2.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.737 0.303 . . . . 0.0 110.246 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.24 -34.03 77.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.521 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.68 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.075 0.464 . . . . 0.0 110.676 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.3 80.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.404 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.81 88.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.477 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.95 -41.13 99.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.562 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.56 96.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.738 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 94.9 mmm -64.96 -40.58 95.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.495 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 4.1 mmt -62.63 -41.47 99.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.607 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.89 -42.94 99.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.912 0.387 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.44 -39.7 94.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.266 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 38.5 t -62.29 -45.23 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.57 -42.08 95.91 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.417 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 60.3 mtt -61.96 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.335 0.588 . . . . 0.0 110.504 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.74 97.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.311 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.82 -40.23 91.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.675 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.98 -42.02 97.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.347 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.18 -40.86 94.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.029 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.18 83.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.451 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.558 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 85.5 t60 -62.76 -37.67 87.56 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.14 110.285 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.55 -44.36 97.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.373 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.82 -43.69 96.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.082 0.468 . . . . 0.0 110.077 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.49 ' NE2' ' CB ' ' C' ' 77' ' ' ALA . 5.6 tp-100 -60.75 -42.86 98.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.25 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.04 -43.54 77.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 1.03 110.159 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.59 -39.61 88.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.521 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.09 -38.08 81.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.742 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.405 HG23 HD13 ' C' ' 59' ' ' ILE . 95.9 mt -68.03 -39.75 82.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 1.01 110.801 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.524 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.9 mm-40 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 tp . . . . . 0 CA--C 1.519 -0.214 0 CA-C-O 120.61 0.243 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.57 -45.27 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 130.134 3.374 . . . . 0.0 110.568 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.76 -39.66 94.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.08 0.467 . . . . 1.03 110.957 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.22 -47.92 88.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.752 -0.658 . . . . 1.13 110.274 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.627 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 58.8 t-80 -58.17 -45.95 86.57 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.88 -0.328 . . . . 1.96 110.324 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.49 ' CB ' ' NE2' ' C' ' 55' ' ' GLN . . . -63.14 -40.67 98.25 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.908 0.385 . . . . 1.01 110.439 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . 0.405 HE21 ' HG2' ' C' ' 55' ' ' GLN . 86.2 mm-40 -62.42 -40.58 96.99 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.244 -0.434 . . . . 1.89 110.237 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 37.8 tp -57.54 -46.24 84.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.501 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.627 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 87.3 m-70 -68.07 -46.86 69.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.301 -0.409 . . . . 0.13 110.762 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.4 -45.81 92.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.814 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.34 -42.93 99.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.424 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.529 ' OG1' ' NH2' ' C' ' 19' ' ' ARG . 24.3 p -64.07 -45.96 86.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.28 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.466 ' H ' ' HG1' ' C' ' 83' ' ' THR . 67.0 m -62.13 -50.11 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.598 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.22 -48.18 79.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.491 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.86 -43.97 97.77 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.148 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.51 80.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.941 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -58.43 -46.33 86.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.234 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.95 -44.41 94.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.908 0.385 . . . . 0.0 110.194 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.43 -42.49 95.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.152 0.501 . . . . 0.0 110.003 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.0 mt -60.84 -42.71 93.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.367 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' THR . . . . . 0.495 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 76.0 m -57.82 -45.8 85.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.138 0.494 . . . . 0.0 110.028 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.33 -43.52 97.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.486 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 76.5 mt -59.24 -43.13 92.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.15 -43.0 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.547 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -61.72 -39.67 92.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.701 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.15 -42.02 98.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.944 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.0 m80 -60.01 -39.32 85.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.734 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' C' ' 103' ' ' ALA . 84.0 tt0 -61.62 -40.37 94.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.103 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.83 -38.56 91.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.197 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.37 -41.11 96.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.312 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.25 -9.28 39.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.408 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.531 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.215 -0.726 0 CA-C-O 121.907 0.861 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.77 143.06 36.75 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.26 38.49 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.866 -1.146 . . . . 0.0 109.564 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.11 149.22 28.57 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 152.28 19.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.993 -1.067 . . . . 0.0 108.376 178.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.87 144.28 19.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.4 m -96.62 136.59 36.93 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 122.165 0.983 . . . . 0.0 110.133 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.32 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.87 -4.33 19.32 Favored 'General case' 0 C--N 1.265 -3.078 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.902 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.56 141.79 85.64 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 119.637 -1.914 . . . . 0.0 110.577 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.45 -47.68 12.78 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 124.769 3.646 . . . . 0.0 114.153 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.558 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 98.7 m-20 -102.14 27.59 6.52 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 116.059 -2.256 . . . . 0.0 108.806 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.69 -125.84 26.31 Favored Glycine 0 N--CA 1.496 2.676 0 C-N-CA 117.653 -2.213 . . . . 0.0 109.604 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.8 tp -128.21 75.85 1.65 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.938 -1.33 . . . . 0.0 109.458 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -80.79 174.53 11.53 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 117.909 -1.517 . . . . 0.0 112.129 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.408 ' H ' HG22 ' D' ' 316' ' ' THR . 58.6 p -24.78 -67.67 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -177.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.501 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 8.4 ttt-85 -45.54 -65.41 0.66 Allowed Pre-proline 0 N--CA 1.493 1.712 0 C-N-CA 120.108 -0.637 . . . . 0.0 112.488 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.6 -32.21 58.72 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 C-N-CA 121.869 1.713 . . . . 0.0 111.465 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.87 86.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.239 -0.913 . . . . 0.0 109.486 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.97 -39.67 72.4 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -64.0 -39.37 93.97 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 117.946 -1.501 . . . . 0.0 109.507 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.59 -45.35 93.31 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.656 1.217 . . . . 0.0 108.756 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.67 -42.18 95.09 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.689 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.411 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 63.4 mttm -63.91 -40.29 96.14 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.21 -0.931 . . . . 0.0 109.783 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.73 -39.73 80.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.424 -0.798 . . . . 0.0 109.57 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.02 91.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.58 -1.325 . . . . 0.0 109.46 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.35 -16.11 42.89 Favored 'General case' 0 N--CA 1.512 2.64 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.0 -10.54 86.2 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 119.954 -1.716 . . . . 0.0 109.268 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.31 32.89 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.26 -1.729 . . . . 0.0 109.998 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.55 -30.13 59.62 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.285 -0.884 . . . . 0.0 112.366 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.71 158.57 10.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 119.841 -1.787 . . . . 0.0 112.8 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.97 130.29 35.4 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 102.814 -3.032 . . . . 0.0 102.814 171.243 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.75 136.61 60.3 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-O 122.208 1.004 . . . . 0.0 109.336 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.409 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.9 143.2 50.98 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 123.08 1.419 . . . . 0.0 110.02 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.409 ' N ' HG23 ' D' ' 334' ' ' THR . 85.6 t -108.12 129.99 61.41 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.703 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 173.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.9 m -127.52 119.63 26.45 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.835 -1.166 . . . . 0.0 108.871 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.61 122.63 39.29 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.578 -0.701 . . . . 0.0 109.891 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.74 38.9 24.21 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.945 -1.097 . . . . 0.0 112.747 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 10.91 83.6 Favored Glycine 0 N--CA 1.5 2.952 0 O-C-N 119.956 -1.715 . . . . 0.0 112.556 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.77 136.3 54.51 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.78 158.58 32.98 Favored 'General case' 0 C--N 1.276 -2.623 0 CA-C-O 123.762 1.744 . . . . 0.0 112.494 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.74 151.44 31.41 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 112.508 -2.133 . . . . 0.0 108.575 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.636 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.62 135.9 48.76 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 173.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.94 -6.78 47.55 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.715 -1.24 . . . . 0.0 110.734 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.636 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.53 13.07 31.24 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.694 -1.254 . . . . 0.0 109.425 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 94.8 p -133.11 104.09 6.34 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.183 0.992 . . . . 0.0 110.144 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.8 tp -57.19 -37.89 72.85 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.007 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -58.91 -51.35 70.42 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.6 -1.313 . . . . 0.0 113.068 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.35 70.33 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 119.616 -1.928 . . . . 0.0 109.224 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.75 75.84 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.945 -1.102 . . . . 0.0 109.924 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.524 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.68 -10.41 52.1 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.616 -0.677 . . . . 0.0 109.928 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.4 p -89.83 -7.67 53.8 Favored 'General case' 0 N--CA 1.503 2.215 0 C-N-CA 118.084 -1.446 . . . . 0.0 110.922 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.41 159.23 15.34 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.166 -0.958 . . . . 0.0 110.134 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.65 104.85 2.96 Favored Glycine 0 N--CA 1.485 1.928 0 N-CA-C 106.956 -2.457 . . . . 0.0 106.956 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.9 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.308 -1.212 0 O-C-N 120.724 -1.456 . . . . 0.0 107.398 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.2 p -81.41 172.54 13.42 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.284 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.72 140.92 57.35 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.321 -0.952 . . . . 0.0 109.862 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.16 78.99 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 120.015 -1.088 . . . . 0.0 111.35 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.39 135.91 34.08 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.873 -1.369 . . . . 0.0 110.658 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.53 123.7 48.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.23 160.08 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 C-N-CA 117.408 -1.717 . . . . 0.0 110.604 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.1 m -108.86 128.4 54.88 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.504 -1.373 . . . . 0.0 107.611 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.93 121.4 60.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.62 147.23 50.71 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -179.543 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.36 47.23 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 118.535 -1.266 . . . . 0.0 109.803 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.8 6.43 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 118.517 -1.273 . . . . 0.0 108.008 178.18 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.32 40.15 Favored Glycine 0 C--N 1.296 -1.671 0 C-N-CA 118.035 -2.031 . . . . 0.0 110.379 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.57 82.6 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.385 -0.908 . . . . 0.0 112.195 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 115.822 -2.351 . . . . 0.0 108.556 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.43 -33.51 65.91 Favored 'General case' 0 N--CA 1.521 3.085 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.416 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.84 -45.66 27.62 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 119.537 -1.977 . . . . 0.0 110.98 -176.563 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.784 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.56 -40.66 97.56 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 178.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.54 77.46 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 117.528 -1.669 . . . . 0.0 110.067 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.2 t -66.77 -42.3 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 CA-C-O 122.221 1.01 . . . . 0.0 109.264 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.82 -47.94 76.3 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.079 0.942 . . . . 0.0 108.78 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.784 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.8 -38.28 76.59 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.731 -178.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.68 -28.54 58.72 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.373 -1.454 . . . . 0.0 110.9 -174.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.26 62.9 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.23 -45.28 84.03 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.076 -1.05 . . . . 0.0 110.501 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.28 -37.43 85.48 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.844 -1.16 . . . . 0.0 111.568 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.82 61.61 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.124 -0.985 . . . . 0.0 110.273 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.83 -32.31 46.14 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.475 -0.765 . . . . 0.0 111.323 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.11 125.5 12.38 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 124.383 2.039 . . . . 0.0 112.872 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.902 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.3 mm-40 . . . . . 0 C--N 1.278 -2.513 0 CA-C-N 111.061 -2.79 . . . . 0.0 110.127 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.77 -44.87 88.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.958 0.409 . . . . 1.94 110.306 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.19 -34.99 78.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.262 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.09 -42.15 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.375 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.05 -44.22 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.974 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.42 -41.25 84.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.491 -0.559 . . . . 1.04 109.491 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -40.99 98.57 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.3 mt -63.35 -42.93 98.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.22 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.13 -44.48 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 1.05 109.683 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.421 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 90.3 mt -63.6 -44.32 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.047 -0.524 . . . . 1.02 109.972 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.46 -46.32 89.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.842 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -60.73 -44.93 96.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.957 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.52 -43.02 99.62 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.542 ' NE2' HH21 ' D' ' 317' ' ' ARG . 91.1 mm-40 -63.49 -43.77 96.3 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.32 78.3 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.829 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.45 -47.18 87.22 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.1 p -55.6 -44.1 76.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.486 ' N ' ' HG ' ' A' ' 20' ' ' SER . 69.6 mt -62.13 -41.77 98.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.698 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.39 -49.95 74.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.403 0.621 . . . . 0.0 109.341 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.05 -40.74 90.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.557 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.33 94.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.46 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.676 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.72 -45.02 95.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.439 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.86 -42.42 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.67 -41.55 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.807 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.12 96.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.681 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.0 -28.76 69.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.186 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -80.29 -4.16 52.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.46 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.23 14.54 68.71 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.44 78.96 2.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.303 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -64.74 -34.55 78.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.67 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.41 74.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.491 . . . . 0.0 110.786 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.13 80.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.98 81.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.54 -42.19 98.46 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.62 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.56 99.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.789 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.3 mmm -65.77 -40.17 91.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.494 ' O ' ' OG ' ' A' ' 44' ' ' SER . 91.0 mtp -63.43 -41.31 98.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.59 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.69 -44.56 96.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.981 0.42 . . . . 0.0 110.611 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.05 -41.66 99.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.222 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.703 ' HG ' ' HE ' ' A' ' 88' ' ' ARG . 77.9 p -60.92 -46.2 91.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.56 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.539 ' NH2' HH12 ' A' ' 88' ' ' ARG . 62.9 ttm-85 -60.14 -42.9 95.83 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.345 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 62.0 mtt -61.68 -43.01 99.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.269 0.557 . . . . 0.0 110.605 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.83 92.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.2 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.32 -40.45 93.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.665 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.92 -42.08 97.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.245 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.05 -40.76 91.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.18 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.79 78.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.484 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -60.95 -38.85 87.3 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.13 110.322 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -59.98 -44.61 94.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.67 -42.77 93.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.069 0.461 . . . . 0.0 109.994 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -59.95 -45.22 93.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.251 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -54.88 -43.97 73.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.03 110.018 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -60.32 -39.63 87.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.497 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.82 -38.76 89.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.603 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.7 mt -72.53 -36.86 55.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.097 -0.501 . . . . 1.01 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.528 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 5.1 p . . . . . 0 C--O 1.226 -0.151 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.64 -45.29 85.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.603 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.06 -47.66 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.906 0.384 . . . . 0.0 110.588 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.528 ' H ' ' HG ' ' A' ' 71' ' ' SER . 96.1 mt -63.51 -41.3 98.52 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.974 0.416 . . . . 1.03 110.874 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.81 -48.18 88.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.761 -0.654 . . . . 1.12 110.19 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -59.26 -45.82 90.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.835 0.35 . . . . 0.0 110.354 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.63 95.99 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.524 -0.307 . . . . 1.01 110.639 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -62.64 -40.58 97.47 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.202 -0.454 . . . . 1.89 110.191 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.6 tp -56.82 -45.93 82.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.434 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -67.03 -46.25 75.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.34 -0.391 . . . . 0.13 110.776 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.9 -45.83 92.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.766 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.16 -43.55 98.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.15 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.8 p -63.46 -46.67 85.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.058 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.7 t -62.39 -48.81 78.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.445 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.57 -48.82 78.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.54 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.17 -44.47 97.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.058 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.24 80.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.853 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.703 ' HE ' ' HG ' ' A' ' 44' ' ' SER . 76.5 ttt-85 -59.09 -45.61 90.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.173 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.47 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.8 mt-10 -60.4 -43.97 96.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.086 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.94 -42.21 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.17 0.509 . . . . 0.0 109.931 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.14 -42.64 90.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.8 m -56.94 -45.83 82.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.455 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 98.5 mt-10 -63.36 -43.25 98.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.578 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.541 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.6 mt -59.93 -43.16 95.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.404 HG22 HD13 ' A' ' 95' ' ' ILE . 88.2 mt -61.59 -42.76 95.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.51 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -61.45 -39.79 92.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.087 0.47 . . . . 0.0 109.769 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.26 -42.17 99.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.879 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.541 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.4 m80 -59.7 -39.58 85.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.25 -39.36 92.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.152 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.93 -37.96 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.185 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.463 179.84 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.575 0.226 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 1.94 110.362 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.8 -35.38 79.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.218 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.76 -42.4 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.358 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -60.87 -44.28 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.881 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.42 -41.32 84.75 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.588 -0.523 . . . . 1.05 109.588 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -41.16 98.68 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.7 mt -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.406 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.15 -44.24 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 1.08 109.688 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.419 HG22 HD13 ' B' ' 13' ' ' ILE . 89.9 mt -63.81 -44.51 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.902 -0.59 . . . . 1.02 109.97 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.25 -46.45 88.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.79 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -60.55 -44.92 95.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.09 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.67 -43.11 99.46 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.121 -1.191 . . . . 0.0 110.121 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.517 ' O ' ' OG ' ' B' ' 20' ' ' SER . 91.5 mm-40 -63.14 -44.11 96.46 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.68 -49.64 76.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.885 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.29 -46.92 88.15 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.517 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.6 p -55.78 -43.89 77.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.492 ' N ' ' HG ' ' B' ' 20' ' ' SER . 69.0 mt -62.26 -42.01 98.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.733 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.34 -50.06 74.16 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.47 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.3 m-85 -59.79 -40.73 89.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.725 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.69 95.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.73 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.63 89.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.68 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.7 -44.96 95.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.346 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -55.88 -42.44 75.94 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.65 -41.66 99.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.918 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.41 95.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.649 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.71 -29.01 69.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.013 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.25 -4.1 51.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.356 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.24 14.16 69.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.09 78.93 2.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.773 0.32 . . . . 0.0 110.337 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.76 -34.6 78.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.613 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -49.34 75.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.008 0.433 . . . . 0.0 110.756 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.3 80.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.17 -47.91 82.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.73 -42.5 99.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.586 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.28 99.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.729 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 91.4 mmm -66.21 -40.01 90.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.481 ' O ' ' OG ' ' B' ' 44' ' ' SER . 91.0 mtp -63.24 -41.46 99.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.559 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.96 -44.3 97.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.499 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.32 -40.95 98.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.316 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.701 ' HG ' ' HE ' ' B' ' 88' ' ' ARG . 78.6 p -61.49 -46.21 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.461 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.538 ' NH2' HH12 ' B' ' 88' ' ' ARG . 62.7 ttm-85 -60.39 -42.66 96.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.257 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 62.2 mtt -61.63 -43.28 99.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.309 0.576 . . . . 0.0 110.655 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.62 92.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.21 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.49 -40.05 92.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.749 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.15 -42.27 98.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.37 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.73 -40.88 92.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.194 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.86 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.477 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -60.86 -38.72 86.54 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.13 110.275 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.25 -44.58 95.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.3 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.49 -43.04 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.038 0.446 . . . . 0.0 110.016 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -59.65 -45.84 90.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.277 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -54.27 -44.19 71.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 1.03 109.96 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.56 -39.79 89.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.552 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.3 mt -65.25 -38.8 91.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.685 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 77.3 mt -72.43 -37.3 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 1.01 110.787 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.747 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.528 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 10.0 p . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 121.086 0.469 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.29 -45.12 94.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.554 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.98 -47.07 94.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.561 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.528 ' H ' ' HG ' ' B' ' 71' ' ' SER . 96.9 mt -64.02 -40.85 97.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.062 0.458 . . . . 1.03 110.963 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.96 -47.8 90.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.77 -0.65 . . . . 1.12 110.275 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.676 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.3 t-80 -59.28 -46.24 89.07 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.9 -0.32 . . . . 2.11 110.265 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.47 96.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.841 0.353 . . . . 1.01 110.42 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.93 -40.68 98.35 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.147 -0.478 . . . . 1.89 110.29 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 48.2 tp -56.83 -45.94 82.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.676 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 71.6 m-70 -67.05 -46.34 74.65 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.689 -0.404 . . . . 0.14 110.726 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.68 -46.08 91.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.863 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.89 -43.47 98.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.293 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.7 p -63.6 -46.49 85.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.187 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 40.9 t -62.34 -48.64 78.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.637 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.71 -48.49 79.43 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.462 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.52 -44.28 97.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.146 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.25 80.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.927 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.701 ' HE ' ' HG ' ' B' ' 44' ' ' SER . 76.3 ttt-85 -58.99 -45.53 90.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.276 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.483 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 98.0 mt-10 -60.54 -43.98 96.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.19 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.84 -41.92 97.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.152 0.501 . . . . 0.0 110.086 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.56 -42.48 91.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.247 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 69.7 m -56.94 -46.12 82.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.08 0.467 . . . . 0.0 109.916 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.439 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.3 mt-10 -62.98 -43.55 98.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.442 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.3 mt -59.73 -43.47 94.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.42 HD13 HG22 ' B' ' 95' ' ' ILE . 87.0 mt -61.28 -42.97 95.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.545 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.16 -40.04 92.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.17 -41.81 98.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.867 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.7 m80 -59.91 -39.79 86.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.811 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.74 -39.68 92.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.133 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.05 -37.63 88.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.188 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.414 179.843 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.595 0.235 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.84 -44.92 88.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.829 0.347 . . . . 1.94 110.349 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.97 -35.25 79.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.336 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.7 -42.43 95.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.07 -44.05 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.994 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mtp -58.47 -41.51 85.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.603 -0.517 . . . . 1.05 109.603 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.52 98.97 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.76 -43.45 98.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.905 0.383 . . . . 0.0 110.43 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.71 -44.38 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 1.09 109.711 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.424 HD13 HG22 ' C' ' 13' ' ' ILE . 89.9 mt -63.71 -44.19 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.016 -0.538 . . . . 1.02 110.045 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.48 -46.49 88.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.838 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -60.66 -44.82 96.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.153 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.57 -43.28 99.24 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.039 -1.225 . . . . 0.0 110.039 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . 0.504 ' O ' ' OG ' ' C' ' 20' ' ' SER . 91.2 mm-40 -63.23 -44.13 96.11 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -50.08 74.99 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.24 -46.85 88.35 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.5 p -56.08 -43.63 78.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.464 ' N ' ' HG ' ' C' ' 20' ' ' SER . 67.9 mt -62.41 -41.66 98.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.65 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.59 -50.02 74.48 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.483 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.3 m-85 -59.9 -41.09 90.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.538 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.67 94.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.778 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.1 89.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.594 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.33 -45.11 95.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.79 -42.38 75.49 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.92 -41.3 99.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.89 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.21 95.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.756 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.32 -28.64 69.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.049 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -80.25 -4.09 51.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.448 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.22 14.15 69.62 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.01 78.7 2.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.741 0.305 . . . . 0.0 110.221 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.5 -34.99 79.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.538 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -49.18 76.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.041 0.448 . . . . 0.0 110.748 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.97 79.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.6 82.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.496 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.08 -42.17 98.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.571 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.91 99.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.747 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 91.7 mmm -65.53 -40.79 93.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.505 ' O ' ' OG ' ' C' ' 44' ' ' SER . 91.1 mtp -62.61 -41.75 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.662 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.73 -44.5 96.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.454 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.98 -41.24 99.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' SER . . . . . 0.671 ' HG ' ' HE ' ' C' ' 88' ' ' ARG . 78.7 p -61.17 -46.45 90.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.51 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.52 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.7 ttm-85 -60.29 -42.4 95.41 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.324 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.91 -43.05 99.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.354 0.597 . . . . 0.0 110.516 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.09 92.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.354 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.16 -40.52 94.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.1 -42.0 97.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.381 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.12 -40.46 90.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.09 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.63 -46.22 76.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.432 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.586 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 63.3 t-80 -60.72 -38.53 85.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 0.14 110.311 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.1 mt -60.19 -44.52 95.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.47 -42.91 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.027 0.441 . . . . 0.0 109.97 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -60.23 -45.2 94.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.26 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.1 m -54.68 -43.92 72.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 1.03 110.118 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -60.73 -39.61 89.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.517 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.47 -38.86 91.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.3 mt -72.17 -37.29 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 1.01 110.822 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.532 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 mt . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 120.637 0.256 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.63 -47.54 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 130.182 3.393 . . . . 0.0 110.612 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.9 -40.64 91.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.2 -0.454 . . . . 1.03 110.997 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.32 -48.02 89.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.73 -0.668 . . . . 1.13 110.22 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.656 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.3 t-80 -59.41 -46.39 88.83 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.938 -0.305 . . . . 1.96 110.275 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.51 96.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.93 0.395 . . . . 1.01 110.434 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.77 -41.11 99.08 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.89 110.265 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 47.6 tp -56.33 -46.19 80.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.529 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.656 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 71.8 m-70 -66.97 -46.38 74.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.304 -0.407 . . . . 0.13 110.802 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.53 -46.42 90.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.836 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.51 -43.38 98.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.395 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.0 p -63.74 -46.4 85.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.172 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.6 t -62.56 -48.35 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.94 -48.68 79.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 110.515 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.25 -44.35 97.4 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.173 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.06 -48.21 80.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.009 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.671 ' HE ' ' HG ' ' C' ' 44' ' ' SER . 76.4 ttt-85 -59.2 -45.36 91.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.253 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.4 -44.22 95.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.936 0.398 . . . . 0.0 110.141 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.77 -42.15 97.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.123 0.487 . . . . 0.0 109.976 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.3 -42.52 90.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 68.8 m -57.03 -45.84 82.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.097 0.475 . . . . 0.0 109.993 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.34 -43.14 98.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.534 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.55 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.1 mt -59.91 -43.2 95.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.431 HD13 HG22 ' C' ' 95' ' ' ILE . 87.6 mt -61.6 -43.04 96.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.528 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.95 -40.11 92.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.98 -42.31 98.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.899 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.55 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.6 m80 -59.48 -40.16 86.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.704 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.68 -39.33 91.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.142 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.98 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.221 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' C' ' 103' ' ' ALA . 42.0 mt -63.6 -40.58 97.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 58.83 -72.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.455 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . 0.591 ' N ' ' O ' ' C' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.223 -0.329 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.536 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.516 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.929 0.871 . . . . 0.0 108.893 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.84 143.09 36.62 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.35 38.59 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.946 -1.096 . . . . 0.0 109.581 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.17 149.16 28.46 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.29 18.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.051 -1.031 . . . . 0.0 108.408 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.82 144.37 19.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.55 37.09 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 122.143 0.973 . . . . 0.0 110.119 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.38 25.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.9 -4.3 19.31 Favored 'General case' 0 C--N 1.266 -3.044 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.901 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.78 85.68 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 119.774 -1.829 . . . . 0.0 110.597 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.44 -47.74 12.66 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 124.71 3.607 . . . . 0.0 114.142 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.586 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 96.4 m-20 -102.1 27.56 6.53 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 116.076 -2.25 . . . . 0.0 108.81 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.36 -124.16 24.42 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 117.699 -2.191 . . . . 0.0 109.58 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.0 tp -129.71 81.24 2.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.939 -1.33 . . . . 0.0 109.568 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -85.95 176.61 7.96 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 117.933 -1.507 . . . . 0.0 112.09 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 67.0 p -25.68 -62.78 0.07 Allowed 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.542 HH21 ' NE2' ' A' ' 17' ' ' GLN . 18.0 ttt180 -51.4 -65.0 1.07 Allowed Pre-proline 0 N--CA 1.494 1.748 0 C-N-CA 120.096 -0.642 . . . . 0.0 112.514 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.61 -32.19 58.66 Favored 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 121.9 1.733 . . . . 0.0 111.495 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.84 86.75 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.16 -0.963 . . . . 0.0 109.524 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.92 -39.74 72.51 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.91 -39.48 94.26 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 118.003 -1.479 . . . . 0.0 109.459 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.545 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.68 -45.33 93.28 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 122.609 1.195 . . . . 0.0 108.66 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . 0.61 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.9 t -62.61 -42.27 95.31 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.733 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.421 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 96.5 mttt -63.79 -40.35 96.44 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.794 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.462 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.58 79.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.446 -0.784 . . . . 0.0 109.586 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.0 91.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.582 -1.324 . . . . 0.0 109.427 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . 0.61 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.9 mttp -61.33 -16.25 44.02 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.293 -0.879 . . . . 0.0 113.31 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.62 86.06 Favored Glycine 0 N--CA 1.48 1.58 0 O-C-N 119.873 -1.767 . . . . 0.0 109.301 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.415 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.34 32.82 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.321 -1.694 . . . . 0.0 110.077 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.55 -30.12 59.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.243 -0.91 . . . . 0.0 112.361 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.65 158.57 9.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 119.819 -1.8 . . . . 0.0 112.857 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.37 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 102.861 -3.014 . . . . 0.0 102.861 171.194 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.62 60.27 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 CA-C-O 122.194 0.997 . . . . 0.0 109.316 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.405 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.4 m -124.94 143.12 51.04 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-O 123.125 1.44 . . . . 0.0 109.968 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.405 ' N ' HG23 ' D' ' 334' ' ' THR . 85.4 t -108.11 129.95 61.47 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.697 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 173.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.41 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.6 m -127.45 119.62 26.53 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.914 -1.116 . . . . 0.0 108.939 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.65 39.38 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.542 -0.723 . . . . 0.0 109.846 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.73 38.93 24.23 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.917 -1.114 . . . . 0.0 112.779 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 10.96 83.59 Favored Glycine 0 N--CA 1.501 2.979 0 O-C-N 119.982 -1.699 . . . . 0.0 112.63 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.85 136.18 54.58 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.74 158.51 33.09 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.743 1.735 . . . . 0.0 112.44 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.42 31.44 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 112.484 -2.143 . . . . 0.0 108.572 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.645 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.2 t -70.58 135.94 48.87 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 173.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.0 -6.71 47.25 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.681 -1.262 . . . . 0.0 110.766 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.645 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.55 13.04 31.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.698 -1.251 . . . . 0.0 109.396 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 97.5 p -133.16 104.17 6.37 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.25 1.024 . . . . 0.0 110.148 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.31 -37.78 73.01 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.943 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -58.88 -51.42 70.1 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.561 -1.337 . . . . 0.0 113.099 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.0 -32.41 70.58 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 119.561 -1.962 . . . . 0.0 109.272 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.79 -33.77 75.88 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 118.995 -1.082 . . . . 0.0 109.916 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.532 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.71 -10.36 51.79 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.607 -0.683 . . . . 0.0 109.942 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 37.6 p -89.79 -7.81 53.56 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 118.174 -1.41 . . . . 0.0 110.854 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.34 159.26 15.34 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.185 -0.947 . . . . 0.0 110.202 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.63 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 106.939 -2.464 . . . . 0.0 106.939 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 87.5 mt -119.55 47.39 1.72 Allowed 'General case' 0 C--N 1.309 -1.165 0 O-C-N 120.69 -1.477 . . . . 0.0 107.426 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 4.6 p -81.45 172.57 13.36 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 118.843 -1.143 . . . . 0.0 109.22 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -60.74 140.97 57.37 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.835 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.19 79.11 Favored Glycine 0 N--CA 1.5 2.966 0 C-N-CA 120.069 -1.063 . . . . 0.0 111.38 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.45 136.0 34.02 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.959 -1.318 . . . . 0.0 110.629 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.8 t -96.59 123.68 48.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.15 160.08 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.271 0 C-N-CA 117.451 -1.7 . . . . 0.0 110.647 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.41 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.93 128.35 54.85 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 120.562 -1.336 . . . . 0.0 107.567 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.83 121.45 60.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.23 50.71 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.54 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.41 47.11 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 118.506 -1.278 . . . . 0.0 109.778 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.82 6.43 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 118.524 -1.27 . . . . 0.0 108.049 178.233 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.28 40.09 Favored Glycine 0 C--N 1.296 -1.654 0 C-N-CA 117.994 -2.051 . . . . 0.0 110.355 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.39 -40.62 82.86 Favored 'General case' 0 C--N 1.275 -2.634 0 CA-C-N 114.388 -0.906 . . . . 0.0 112.195 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.08 36.77 3.56 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 115.883 -2.327 . . . . 0.0 108.591 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.48 65.75 Favored 'General case' 0 N--CA 1.521 3.1 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -174.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.448 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.93 -45.66 27.03 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 119.481 -2.012 . . . . 0.0 110.953 -176.56 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.786 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.71 97.75 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.42 77.93 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 117.422 -1.711 . . . . 0.0 110.043 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.3 t -66.87 -42.22 88.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-O 122.204 1.002 . . . . 0.0 109.263 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.82 -47.94 76.3 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-O 122.109 0.956 . . . . 0.0 108.775 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.786 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.36 76.73 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.754 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.545 HD22 ' CE1' ' D' ' 322' ' ' PHE . 81.0 mt -75.54 -28.65 59.15 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.283 -1.51 . . . . 0.0 110.897 -174.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.49 70.99 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.413 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.16 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.462 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.15 84.53 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 119.009 -1.076 . . . . 0.0 110.546 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.37 -37.44 85.71 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.94 -1.1 . . . . 0.0 111.534 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.73 61.65 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.093 -1.004 . . . . 0.0 110.298 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.97 -32.28 45.27 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.454 -0.779 . . . . 0.0 111.282 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 125.52 12.32 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 124.367 2.032 . . . . 0.0 112.842 178.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.901 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.4 tt0 . . . . . 0 C--N 1.277 -2.562 0 CA-C-N 111.14 -2.754 . . . . 0.0 110.089 -177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.2 mt . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.54 0.21 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -63.38 -48.79 76.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.905 0.383 . . . . 1.94 110.256 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -68.0 -36.39 79.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.281 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.73 -43.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.363 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.77 -44.84 98.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.993 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.22 -41.29 88.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.531 -0.544 . . . . 1.04 109.531 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.1 -42.48 96.56 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.4 mt -63.38 -42.89 98.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.156 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.422 HG12 ' HD1' ' A' ' 80' ' ' HIS . 96.2 mt -63.12 -44.4 99.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.537 . . . . 1.05 109.71 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.82 -44.17 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.039 -0.528 . . . . 1.02 109.916 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 14' ' ' ASN . 47.2 t-20 -60.34 -45.98 91.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.859 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p -61.15 -42.97 99.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.95 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.565 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.48 -43.65 97.85 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -61.94 -42.96 99.7 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.4 -49.12 78.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.891 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.88 -46.05 92.16 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -55.81 -44.25 77.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.97 -42.0 98.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.693 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.57 -48.16 80.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.397 0.618 . . . . 0.0 109.336 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -60.21 -41.76 93.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.64 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.65 95.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.768 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -43.16 88.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.648 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.4 -45.52 93.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.465 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -55.2 -43.25 74.23 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.5 mt-30 -61.55 -41.51 97.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.773 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.93 93.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.697 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.55 -28.98 69.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.109 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.32 -4.75 54.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.471 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.41 15.03 67.2 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -98.68 78.68 2.37 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.244 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -64.82 -34.73 79.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.678 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.35 79.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.069 0.461 . . . . 0.0 110.729 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -65.17 -35.21 80.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.321 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.69 82.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.62 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.71 -42.51 99.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.586 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.76 98.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.79 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.79 -42.11 91.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.482 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.8 mtm -63.77 -40.3 96.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.63 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.65 -44.77 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.978 0.418 . . . . 0.0 110.447 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -64.06 -40.87 97.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.167 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.4 t -61.21 -45.95 92.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.576 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -60.25 -42.04 94.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.38 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -61.95 -41.57 98.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.214 0.531 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.41 99.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.22 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.83 -39.76 91.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.642 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -60.92 -41.71 96.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.283 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.25 -39.72 93.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.215 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.41 81.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -63.23 -37.94 89.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.13 110.407 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -61.18 -44.46 97.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.368 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.2 -43.58 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 0.0 109.972 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.729 HE21 ' NE2' ' A' ' 78' ' ' GLN . 1.0 OUTLIER -59.95 -42.81 94.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.273 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.582 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 82.2 m -57.49 -42.6 83.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 1.03 110.006 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.68 -39.29 93.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.531 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.96 -28.43 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.459 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 96.3 mt -86.0 -30.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.099 -0.5 . . . . 1.01 110.858 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--O 1.227 -0.128 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.2 -43.75 83.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.645 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.83 -45.08 99.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.882 0.372 . . . . 0.0 110.577 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.97 -38.85 90.08 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.009 0.433 . . . . 1.03 110.931 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.7 t -58.54 -47.38 88.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.762 -0.654 . . . . 1.12 110.182 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -57.36 -44.23 84.21 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.357 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.81 98.73 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.483 -0.326 . . . . 1.01 110.602 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.729 ' NE2' HE21 ' A' ' 55' ' ' GLN . 92.8 mm-40 -61.28 -41.04 96.28 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.212 -0.449 . . . . 1.89 110.16 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.26 -44.4 88.36 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.447 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.422 ' HD1' HG12 ' A' ' 12' ' ' ILE . 53.5 m170 -68.1 -49.09 63.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.323 -0.398 . . . . 0.13 110.738 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.65 -45.65 93.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.788 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.43 -43.3 99.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.165 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.3 p -64.26 -46.73 82.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.111 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -62.65 -49.95 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.472 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.43 -48.55 78.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.486 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.47 -44.79 96.48 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.066 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.08 82.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.825 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -58.1 -46.32 85.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.101 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.487 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -60.78 -43.56 97.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.012 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.39 -42.62 96.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.163 0.506 . . . . 0.0 109.882 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.2 mt -60.42 -42.32 90.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.289 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.9 m -57.89 -45.92 85.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.884 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.434 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 99.6 mt-10 -63.22 -42.64 99.29 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.27 -42.45 95.4 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.96 -43.04 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.501 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.27 -38.49 89.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.118 0.485 . . . . 0.0 109.712 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.22 -41.99 98.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.872 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -60.65 -40.05 90.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.36 -38.04 89.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.141 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -65.06 -40.39 94.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.188 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.418 179.722 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.583 0.23 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -63.32 -48.83 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.893 0.378 . . . . 1.94 110.402 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.87 -36.33 80.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.219 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.89 -43.08 97.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.436 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.8 -44.87 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.884 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.5 mtp -59.21 -41.35 88.4 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.563 -0.532 . . . . 1.05 109.563 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.96 -42.64 96.74 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.38 -42.81 98.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 0.0 110.331 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.411 HG12 ' HD1' ' B' ' 80' ' ' HIS . 94.6 mt -63.28 -44.2 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 1.08 109.685 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.86 -44.24 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 1.02 109.941 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' B' ' 14' ' ' ASN . 47.9 t-20 -60.32 -45.93 91.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.852 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -61.05 -42.96 99.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.163 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.48 -43.29 98.38 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.18 -43.02 99.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.63 80.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.84 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.21 -45.67 93.6 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.6 m -56.21 -44.16 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.1 -41.74 98.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.737 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.2 80.47 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.487 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.2 m-85 -60.09 -42.04 93.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.63 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.57 93.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.797 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.92 89.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.629 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.79 -45.4 94.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.379 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -55.54 -43.15 75.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.439 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.6 mt-30 -61.52 -40.89 96.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.852 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.64 96.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.675 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.87 -29.03 69.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.052 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.38 -4.8 54.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.65 14.94 66.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.55 78.79 2.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.76 0.314 . . . . 0.0 110.374 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -64.97 -34.74 79.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.606 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.45 79.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.111 0.481 . . . . 0.0 110.768 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.439 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.22 -34.82 79.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.422 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.73 81.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.529 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.51 -42.73 99.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.583 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.0 98.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.651 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.73 -42.27 91.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.5 mtm -63.64 -40.44 96.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.555 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.47 -44.77 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.923 0.392 . . . . 0.0 110.458 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.01 -40.73 97.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.297 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -61.65 -45.59 93.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.44 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -60.41 -41.95 94.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.248 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.92 -41.88 98.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.277 0.561 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.23 99.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.115 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.95 -39.67 90.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.728 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.01 -41.6 96.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.335 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.38 -39.69 92.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.96 82.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.441 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.78 -37.67 88.24 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.13 110.271 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.26 -44.25 97.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.371 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.68 -43.1 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.009 0.433 . . . . 0.0 110.044 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.747 HE21 ' NE2' ' B' ' 78' ' ' GLN . 1.0 OUTLIER -60.23 -42.72 95.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.227 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.569 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 86.3 m -57.68 -42.96 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.03 110.009 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.26 -39.11 91.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.929 0.395 . . . . 0.0 110.562 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.4 -28.04 69.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.757 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' NE2' ' B' ' 55' ' ' GLN . 96.4 mt -86.24 -30.7 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.546 . . . . 1.01 110.746 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.58 179.856 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.413 ' HG ' HD13 ' B' ' 74' ' ' LEU . 93.4 p . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 121.091 0.472 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.24 -43.24 92.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.548 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.46 -44.63 99.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.576 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.413 HD13 ' HG ' ' B' ' 71' ' ' SER . 87.4 mt -62.09 -38.47 88.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.122 0.487 . . . . 1.03 110.95 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 64.8 t -58.81 -47.19 90.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.804 -0.634 . . . . 1.12 110.302 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.467 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 11.5 t-160 -57.39 -44.21 84.3 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.863 -0.335 . . . . 2.11 110.303 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.88 98.66 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.843 0.354 . . . . 1.01 110.4 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.747 ' NE2' HE21 ' B' ' 55' ' ' GLN . 92.3 mm-40 -61.3 -40.82 95.58 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.89 110.234 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 48.2 tp -58.54 -44.55 89.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.419 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.467 ' CE1' ' NE2' ' B' ' 76' ' ' HIS . 52.9 m170 -67.96 -48.77 64.95 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.732 -0.387 . . . . 0.14 110.729 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.02 -45.46 93.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.879 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.43 -43.01 99.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.253 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.4 p -64.73 -46.26 82.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.49 -50.16 72.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.5 -48.53 79.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.486 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.5 -44.51 96.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.067 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.97 83.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.893 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -58.36 -46.0 87.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.225 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.493 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.3 mt-10 -60.89 -43.56 98.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.167 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.37 -42.56 96.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.188 0.518 . . . . 0.0 110.003 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.58 -42.48 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.251 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -57.64 -46.0 84.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.099 0.476 . . . . 0.0 109.842 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.432 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.6 mt-10 -63.29 -42.35 99.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.456 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.434 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 79.5 mt -60.44 -42.72 96.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.8 -43.0 94.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.533 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.12 -38.69 89.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.721 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.27 -41.73 98.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.797 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -60.79 -39.98 90.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.732 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.24 -38.49 91.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.1 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.79 -40.22 94.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.149 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.396 179.753 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 mt . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.619 0.247 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -63.21 -49.03 75.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.816 0.341 . . . . 1.94 110.382 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.5 -36.59 81.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.334 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.57 -42.83 97.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.27 -44.61 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.972 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.7 mtp -59.59 -41.04 89.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.562 -0.533 . . . . 1.05 109.562 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.16 -42.62 96.36 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.12 -43.05 99.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 110.34 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.413 HG12 ' HD1' ' C' ' 80' ' ' HIS . 96.3 mt -63.15 -44.34 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 1.09 109.699 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.51 -44.33 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.029 -0.532 . . . . 1.02 110.055 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 47.9 t-20 -60.17 -46.35 89.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.818 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.0 p -60.6 -43.07 97.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.176 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.45 -43.7 97.81 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -61.92 -42.94 99.67 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -49.03 78.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.784 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -61.12 -45.57 94.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -56.33 -44.49 80.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.58 -41.67 97.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.709 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.28 80.2 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.493 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.5 m-85 -60.25 -41.85 94.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.567 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.38 94.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.72 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.94 89.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.616 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.67 -45.28 94.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.468 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -55.68 -43.1 76.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.539 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.6 mt-30 -61.66 -40.62 95.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.182 0.515 . . . . 0.0 110.025 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.75 96.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.796 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.97 -28.91 69.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.07 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.32 -4.64 54.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.453 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.36 15.0 67.38 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.7 78.15 2.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.752 0.31 . . . . 0.0 110.223 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -64.34 -35.08 79.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.56 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.22 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.067 0.461 . . . . 0.0 110.745 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . 0.445 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.36 -34.37 78.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.43 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.58 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.491 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.28 -43.23 99.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.557 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.11 -41.82 99.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mmm -65.81 -42.14 91.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 73.1 mtm -63.79 -40.56 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.68 -44.51 96.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.441 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.98 -40.97 97.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.273 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 42.7 t -61.52 -45.32 94.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -60.64 -41.82 95.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.281 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.02 -41.82 98.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.384 0.611 . . . . 0.0 110.552 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.65 99.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.316 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.64 -39.89 91.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.04 -41.52 96.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.379 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.24 -40.08 93.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 109.963 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -43.46 82.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.467 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.14 -37.75 88.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.14 110.332 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -61.61 -43.92 97.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.317 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.76 -43.26 93.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.056 0.455 . . . . 0.0 109.99 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.731 HE21 ' NE2' ' C' ' 78' ' ' GLN . 1.1 tm0? -60.29 -42.8 96.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.223 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' THR . . . . . 0.585 ' N ' ' OE1' ' C' ' 55' ' ' GLN . 90.1 m -57.6 -42.5 83.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 1.03 110.161 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.78 -38.98 92.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.911 0.386 . . . . 0.0 110.529 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.33 -27.97 69.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.462 ' CD1' ' NE2' ' C' ' 55' ' ' GLN . 96.3 mt -86.29 -30.73 6.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.569 . . . . 1.01 110.863 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.519 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.7 mm-40 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.44 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tt . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.585 0.231 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.16 -44.87 99.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 130.111 3.364 . . . . 0.0 110.532 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.15 -38.6 91.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.086 0.47 . . . . 1.03 110.979 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 65.7 t -58.82 -47.74 88.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.842 -0.617 . . . . 1.13 110.203 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.459 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 11.3 t-160 -57.58 -43.89 84.92 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.907 -0.317 . . . . 1.96 110.388 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.09 98.58 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.371 . . . . 1.01 110.384 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . 0.731 ' NE2' HE21 ' C' ' 55' ' ' GLN . 92.3 mm-40 -61.07 -41.03 95.86 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.301 -0.409 . . . . 1.89 110.258 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.13 -44.59 87.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.483 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.459 ' CE1' ' NE2' ' C' ' 76' ' ' HIS . 52.5 m170 -68.13 -48.74 64.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.292 -0.413 . . . . 0.13 110.764 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.95 -45.51 93.33 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.809 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.3 mmm -61.36 -43.27 99.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.377 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -64.25 -46.85 81.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.255 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.16 -50.29 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.553 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.3 -48.7 78.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.489 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.24 -44.86 96.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.157 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.11 82.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.944 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -58.23 -45.99 86.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.282 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.61 -43.77 97.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.195 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.41 -42.63 95.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.199 0.523 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.2 mt -60.36 -42.64 91.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.375 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 87.1 m -57.39 -46.11 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.102 0.477 . . . . 0.0 109.996 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.22 -42.65 99.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.501 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.432 ' CD1' ' OE1' ' B' ' 93' ' ' GLU . 79.5 mt -60.04 -42.62 94.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.91 -43.14 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.624 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.9 -38.58 88.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.746 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.28 -41.65 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.869 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -60.95 -39.98 91.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' C' ' 102' ' ' LYS . 84.0 tt0 -63.29 -38.58 91.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.052 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.49 -40.29 95.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.233 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.88 -42.38 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.361 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.4 mttt -91.02 145.04 25.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.457 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.559 179.885 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.519 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 121.892 0.853 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.85 142.98 36.55 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.28 38.56 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.07 -1.019 . . . . 0.0 109.586 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.3 mm-40 -152.14 149.22 28.54 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.3 152.34 18.98 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.012 -1.055 . . . . 0.0 108.368 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.41 19.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.78 136.54 37.18 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.146 0.974 . . . . 0.0 110.104 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.93 114.26 24.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.87 -4.25 19.42 Favored 'General case' 0 C--N 1.265 -3.088 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.894 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.82 85.81 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 119.685 -1.884 . . . . 0.0 110.597 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.52 -47.68 12.92 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 124.734 3.623 . . . . 0.0 114.156 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.11 27.52 6.57 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 116.047 -2.261 . . . . 0.0 108.829 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.61 -126.97 28.14 Favored Glycine 0 N--CA 1.497 2.745 0 C-N-CA 117.611 -2.233 . . . . 0.0 109.537 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.5 tp -127.7 78.08 1.8 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.985 -1.303 . . . . 0.0 109.501 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -85.38 177.12 7.91 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 117.899 -1.521 . . . . 0.0 112.124 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 41.1 p -23.02 -70.47 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.565 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.6 ttt-85 -45.97 -65.83 0.61 Allowed Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.444 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.1 -32.17 64.19 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.95 1.767 . . . . 0.0 111.53 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.87 86.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.225 -0.922 . . . . 0.0 109.471 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.68 72.49 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.91 -39.39 94.07 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.034 -1.467 . . . . 0.0 109.493 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.534 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.7 -45.31 93.36 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.662 1.22 . . . . 0.0 108.683 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . 0.609 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 58.6 t -62.67 -42.3 95.54 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.624 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -63.85 -40.23 96.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.204 -0.935 . . . . 0.0 109.818 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.463 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.75 -39.75 80.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.508 -0.745 . . . . 0.0 109.547 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.0 91.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.598 -1.314 . . . . 0.0 109.393 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . 0.609 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.6 mttp -61.33 -16.26 44.16 Favored 'General case' 0 N--CA 1.511 2.575 0 O-C-N 121.32 -0.862 . . . . 0.0 113.313 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.53 86.06 Favored Glycine 0 N--CA 1.479 1.526 0 O-C-N 119.921 -1.737 . . . . 0.0 109.41 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.52 143.37 32.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.241 -1.74 . . . . 0.0 109.984 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.5 p -75.68 -30.03 59.23 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.267 -0.895 . . . . 0.0 112.275 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.71 158.48 10.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.826 -1.796 . . . . 0.0 112.834 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.585 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.2 35.34 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 102.878 -3.008 . . . . 0.0 102.878 171.221 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.67 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.435 0 O-C-N 121.107 -0.996 . . . . 0.0 109.313 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.416 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.8 m -124.98 143.18 51.03 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-O 123.095 1.426 . . . . 0.0 109.979 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.416 ' N ' HG23 ' D' ' 334' ' ' THR . 86.1 t -108.02 129.96 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 173.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 336' ' ' THR . . . . . . . . . . . . . 70.4 m -127.54 119.54 26.23 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.894 -1.128 . . . . 0.0 108.928 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.55 39.16 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 119.941 -0.703 . . . . 0.0 109.966 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.82 38.9 24.49 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.895 -1.128 . . . . 0.0 112.7 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.76 10.95 83.52 Favored Glycine 0 N--CA 1.503 3.123 0 O-C-N 119.975 -1.703 . . . . 0.0 112.515 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.84 136.26 54.55 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.8 158.55 33.08 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.805 1.764 . . . . 0.0 112.335 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.35 31.33 Favored 'General case' 0 C--N 1.279 -2.459 0 CA-C-N 112.453 -2.158 . . . . 0.0 108.598 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.641 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.57 135.98 48.91 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.02 -6.79 47.81 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.697 -1.252 . . . . 0.0 110.686 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.641 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.5 13.0 31.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.614 -1.304 . . . . 0.0 109.391 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.6 t -133.08 104.18 6.39 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.208 1.004 . . . . 0.0 110.152 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.24 -37.92 73.01 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.006 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -58.82 -51.45 69.94 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.63 -1.294 . . . . 0.0 113.034 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.54 70.77 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 119.505 -1.997 . . . . 0.0 109.178 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.72 -33.69 75.64 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.002 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.519 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.78 -10.37 52.18 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.657 -0.652 . . . . 0.0 109.932 -177.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.0 p -89.82 -7.73 53.68 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 118.081 -1.448 . . . . 0.0 110.937 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.6 mt -93.31 159.34 15.31 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.226 -0.921 . . . . 0.0 110.215 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 106.927 -2.469 . . . . 0.0 106.927 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.2 mt -119.57 47.38 1.72 Allowed 'General case' 0 C--N 1.308 -1.202 0 O-C-N 120.703 -1.469 . . . . 0.0 107.343 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 72.1 p -81.4 172.48 13.49 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.274 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.63 140.88 57.26 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.936 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.22 79.09 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 120.024 -1.084 . . . . 0.0 111.411 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.41 135.86 34.1 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.957 -1.319 . . . . 0.0 110.698 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.42 123.73 48.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.1 m -112.18 160.09 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 117.404 -1.718 . . . . 0.0 110.614 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.7 m -108.88 128.44 54.92 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.506 -1.371 . . . . 0.0 107.58 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.84 121.44 60.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 176.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.22 50.72 Favored 'General case' 0 C--N 1.284 -2.248 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.36 47.14 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.556 -1.258 . . . . 0.0 109.769 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.519 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.78 6.43 Favored 'General case' 0 C--N 1.288 -2.066 0 C-N-CA 118.57 -1.252 . . . . 0.0 108.025 178.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.39 40.14 Favored Glycine 0 C--N 1.295 -1.703 0 C-N-CA 118.023 -2.036 . . . . 0.0 110.359 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.27 -40.65 82.43 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 114.388 -0.906 . . . . 0.0 112.243 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.03 36.81 3.53 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 115.856 -2.337 . . . . 0.0 108.555 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.27 -33.66 65.7 Favored 'General case' 0 N--CA 1.522 3.157 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -45.57 27.58 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.624 -1.922 . . . . 0.0 111.003 -176.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.776 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.79 98.01 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.51 77.6 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 117.468 -1.693 . . . . 0.0 110.037 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.87 -42.2 88.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.223 1.011 . . . . 0.0 109.275 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.87 -47.96 76.41 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-O 122.083 0.944 . . . . 0.0 108.68 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.776 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.84 -38.22 76.44 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.686 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.62 -28.65 58.92 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.404 -1.435 . . . . 0.0 110.859 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.59 71.45 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.455 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.84 -49.33 62.76 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.463 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.21 -45.18 84.06 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.044 -1.062 . . . . 0.0 110.56 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.35 85.42 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.877 -1.139 . . . . 0.0 111.545 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.88 61.71 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.041 -1.037 . . . . 0.0 110.27 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.81 -32.39 46.27 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.459 -0.776 . . . . 0.0 111.325 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.41 12.15 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 124.327 2.013 . . . . 0.0 112.874 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.894 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.8 mt-10 . . . . . 0 C--N 1.278 -2.527 0 CA-C-N 111.11 -2.768 . . . . 0.0 110.155 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.42 -47.25 79.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.948 0.404 . . . . 1.94 110.314 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.56 -35.5 80.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.284 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.32 -42.4 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.4 -44.27 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.947 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.8 -41.77 87.52 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.534 -0.543 . . . . 1.04 109.534 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.94 -42.1 98.43 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.93 -42.59 99.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.869 0.366 . . . . 0.0 110.242 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.09 -43.92 99.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.02 -0.536 . . . . 1.05 109.763 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.422 HD13 HG22 ' A' ' 13' ' ' ILE . 86.1 mt -63.53 -43.98 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.004 -0.544 . . . . 1.02 109.967 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -60.81 -45.61 93.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.751 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -60.58 -43.95 96.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.946 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.547 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.11 -42.71 99.45 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.19 -43.11 99.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.49 76.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -60.49 -45.82 92.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -55.51 -44.49 76.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.32 -42.5 98.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.651 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.5 -50.33 74.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.7 -41.83 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.607 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.87 95.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -42.51 80.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.68 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.85 -44.91 96.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.457 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.4 -41.46 76.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.18 -43.67 98.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.831 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.61 93.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.647 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.649 ' NZ ' ' NE2' ' A' ' 98' ' ' HIS . 69.2 mmtt -61.11 -29.52 69.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.188 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -82.0 -3.89 55.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.497 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.91 15.93 73.86 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -96.79 81.11 3.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.78 0.324 . . . . 0.0 110.292 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -64.6 -34.95 79.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.669 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.51 83.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.032 0.444 . . . . 0.0 110.754 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.85 81.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.388 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.62 79.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.576 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -61.7 -42.59 99.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.638 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.52 99.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.8 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -64.86 -40.68 95.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.2 mmt -62.02 -41.49 98.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.665 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.48 -43.61 98.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.4 . . . . 0.0 110.493 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -65.36 -41.26 94.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.172 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.77 -46.23 90.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -60.62 -42.04 96.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.316 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.38 -43.66 98.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.233 0.539 . . . . 0.0 110.608 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.05 97.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.25 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.7 -40.5 95.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.609 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.4 HD21 ' HA ' ' A' ' 49' ' ' ASN . 8.1 m120 -61.05 -41.85 97.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.267 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.67 -40.61 92.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.187 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.3 78.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.501 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -60.7 -39.29 87.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.13 110.345 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.4 -44.29 95.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.341 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.57 -43.27 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.096 0.474 . . . . 0.0 110.037 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.651 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -59.67 -44.44 93.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.241 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -56.75 -42.5 79.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 1.03 110.107 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.57 -38.95 89.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.496 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.78 -32.7 74.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.687 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.449 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 76.8 mt -77.3 -32.23 18.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.033 -0.53 . . . . 1.01 110.864 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.499 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 87.1 p . . . . . 0 C--O 1.226 -0.133 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.2 mt -57.4 -45.94 84.02 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.609 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.24 -47.44 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-O 120.946 0.403 . . . . 0.0 110.621 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.651 ' CD2' HE22 ' A' ' 55' ' ' GLN . 83.3 mt -63.66 -42.08 98.12 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.168 -0.469 . . . . 1.03 110.903 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.86 -47.54 91.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.735 -0.666 . . . . 1.12 110.285 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -59.09 -45.5 90.68 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.294 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.81 94.77 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.752 0.311 . . . . 1.01 110.682 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.43 -40.06 95.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 1.89 110.156 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.8 tp -56.42 -47.48 78.95 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.406 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.406 ' O ' ' OG1' ' A' ' 83' ' ' THR . 42.9 m80 -67.95 -46.24 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 0.13 110.716 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.6 mt -60.74 -46.52 90.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.82 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.52 -42.71 99.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.205 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 21.5 p -64.35 -46.63 82.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.058 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.14 -49.41 75.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.49 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -58.05 -47.59 82.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.505 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.98 -44.6 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.058 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.4 80.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.82 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -58.06 -45.26 87.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.088 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.486 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -61.7 -43.62 98.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.04 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.22 -43.08 92.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.193 0.521 . . . . 0.0 109.861 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.2 mt -60.84 -42.59 93.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.249 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -57.95 -45.57 86.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 109.876 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.14 -43.49 95.05 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 70.8 mt -59.15 -43.83 92.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.0 -42.69 94.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.47 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.92 -40.43 93.13 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.29 -42.25 99.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.86 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.649 ' NE2' ' NZ ' ' A' ' 30' ' ' LYS . 67.4 m80 -60.2 -39.88 88.12 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -61.84 -40.96 97.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.214 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.473 ' NZ ' ' HZ2' ' B' ' 30' ' ' LYS . 97.8 mttt -65.57 -38.01 88.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.217 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.448 -179.779 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.557 0.218 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.3 -47.13 80.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.94 0.4 . . . . 1.94 110.387 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.49 -35.64 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.229 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.39 -42.12 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.32 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.69 -44.35 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.863 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.85 -41.96 88.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.55 -0.537 . . . . 1.05 109.55 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.78 -42.08 98.66 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.89 -42.63 99.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 110.375 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.18 -44.01 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.52 . . . . 1.08 109.646 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.27 -44.19 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 1.02 109.999 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.84 -45.36 94.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.822 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -60.45 -44.15 96.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.135 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.27 -42.15 99.36 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.55 -43.05 98.2 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.16 77.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.934 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.471 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 77.2 ttt180 -60.68 -45.73 93.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -55.78 -44.33 77.62 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.19 -42.57 99.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.15 74.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.486 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 7.8 m-85 -59.64 -41.95 91.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.705 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.94 95.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.671 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.26 80.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.675 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.05 -45.04 96.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.34 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.48 -41.17 76.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.47 -43.2 99.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.855 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.55 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.65 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.641 ' NZ ' ' NE2' ' B' ' 98' ' ' HIS . 69.3 mmtt -60.96 -29.88 69.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.059 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.95 -3.8 55.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.397 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.63 15.92 74.57 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.48 80.86 3.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.813 0.339 . . . . 0.0 110.356 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -64.4 -35.15 79.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.59 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.66 83.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.015 0.436 . . . . 0.0 110.789 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.65 81.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.398 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.56 78.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -61.52 -43.1 99.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.43 99.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.5 mmm -65.05 -40.58 94.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.555 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.0 mmt -62.17 -41.6 98.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.587 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.36 -43.8 97.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.463 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.11 -41.39 94.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.249 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.7 -46.61 88.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.471 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -60.14 -42.16 94.25 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.304 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 54.3 ttp -61.17 -43.67 98.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.282 0.563 . . . . 0.0 110.688 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.63 96.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.099 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.94 -40.24 94.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.767 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.25 -41.73 97.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.385 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.48 -41.01 93.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.152 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.75 -45.33 78.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.493 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.72 -39.34 88.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.13 110.223 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.2 mt -60.44 -44.04 96.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.318 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.0 -43.18 92.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.011 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.654 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.1 OUTLIER -59.47 -44.71 92.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.196 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.67 -42.61 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 1.03 109.933 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.41 -39.05 89.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.932 0.396 . . . . 0.0 110.593 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.75 -32.73 74.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.462 ' CD1' ' OE1' ' B' ' 55' ' ' GLN . 77.9 mt -77.31 -32.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.5 . . . . 1.01 110.737 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.583 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.504 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 96.2 p . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 121.053 0.454 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 39.0 mt -59.7 -45.59 91.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.504 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.75 -46.57 94.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.763 0.316 . . . . 0.0 110.63 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.654 ' CD2' HE22 ' B' ' 55' ' ' GLN . 83.5 mt -64.13 -41.19 97.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 1.03 110.948 -179.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.71 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.849 -0.614 . . . . 1.12 110.264 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.454 ' CE1' ' CE1' ' B' ' 80' ' ' HIS . 54.4 t-80 -59.47 -45.52 91.41 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.841 -0.344 . . . . 2.11 110.367 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.55 96.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.945 0.403 . . . . 1.01 110.414 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -62.84 -40.14 96.52 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.14 -0.482 . . . . 1.89 110.238 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 48.1 tp -56.8 -46.64 81.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.398 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.454 ' CE1' ' CE1' ' B' ' 76' ' ' HIS . 43.1 m80 -68.43 -46.15 70.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.383 -0.371 . . . . 0.14 110.681 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.97 -46.3 91.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.856 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.69 -42.59 99.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.268 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 20.9 p -64.25 -46.84 81.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.16 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -61.9 -49.59 75.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.61 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.76 -48.04 80.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.468 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.82 -44.31 97.1 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.175 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.69 84.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.891 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -58.4 -45.5 88.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.285 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.481 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.8 mt-10 -61.28 -43.92 98.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.143 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.95 -43.03 94.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 109.963 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.87 -42.36 92.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.238 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -58.12 -46.05 86.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.077 0.465 . . . . 0.0 109.854 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.58 -43.74 96.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.414 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.531 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 71.9 mt -58.8 -43.96 90.65 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.02 -42.87 94.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.564 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.53 -40.45 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.54 -42.49 99.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.801 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.641 ' NE2' ' NZ ' ' B' ' 30' ' ' LYS . 67.2 m80 -59.74 -40.33 87.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.788 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -40.87 96.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.156 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . 0.476 ' NZ ' ' HZ2' ' C' ' 30' ' ' LYS . 97.6 mttt -65.78 -38.12 88.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.133 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 38.9 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.325 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 56.9 mt . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.592 0.234 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.41 -47.16 80.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.803 0.335 . . . . 1.94 110.348 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.47 -35.68 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.323 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.09 -42.55 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.365 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.21 -44.56 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.013 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.78 -41.49 86.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.621 -0.511 . . . . 1.05 109.621 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -41.96 98.06 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.98 -42.34 99.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.343 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.45 -44.06 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 1.09 109.629 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.17 -44.06 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 1.02 110.1 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.96 -45.28 95.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.784 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.7 -44.01 97.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.165 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -42.27 99.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -63.69 -42.61 97.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.848 -0.426 . . . . 0.0 109.848 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -49.54 76.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.747 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.481 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 77.3 ttt180 -60.37 -46.11 91.12 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -55.43 -44.68 76.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.77 -42.74 99.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.68 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.48 -50.51 73.63 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.471 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 7.9 m-85 -59.46 -41.88 90.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.531 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.2 95.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.736 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.08 85.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.576 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.84 -44.88 96.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.404 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.78 -41.12 77.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.59 -43.36 99.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.168 0.509 . . . . 0.0 109.879 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.77 94.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.775 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . 0.632 ' NZ ' ' NE2' ' C' ' 98' ' ' HIS . 69.3 mmtt -60.97 -29.82 69.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.1 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.7 -3.84 54.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.513 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.75 16.22 73.51 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.85 81.1 3.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -64.64 -34.92 79.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.483 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.64 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.1 0.476 . . . . 0.0 110.672 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.66 81.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.371 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.56 -48.74 78.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -61.52 -42.76 99.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.576 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.74 99.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -64.77 -40.84 95.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 11.1 mmt -61.87 -41.79 98.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.572 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.49 -43.65 98.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.42 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -64.99 -41.97 94.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.292 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.21 -46.56 89.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.604 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -60.31 -42.1 94.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.338 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 54.2 ttp -61.06 -43.91 98.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.36 0.6 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.97 97.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.359 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.55 -40.36 95.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.708 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.46 -41.69 97.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.43 -41.05 93.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.033 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.64 78.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.436 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.637 ' CD2' HD21 ' D' ' 312' ' ' ASN . 84.0 t60 -60.46 -39.32 87.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.048 -0.523 . . . . 0.14 110.307 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.52 -44.03 96.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.297 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.77 -43.45 93.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.096 0.474 . . . . 0.0 109.963 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.673 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.1 OUTLIER -59.42 -44.82 92.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.245 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.9 m -56.59 -42.32 78.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.303 -0.408 . . . . 1.03 110.177 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.66 -39.04 89.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.509 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.42 -32.74 74.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.458 ' CD1' ' OE1' ' C' ' 55' ' ' GLN . 76.8 mt -77.49 -32.24 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.053 -0.521 . . . . 1.01 110.829 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.602 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 76.0 mm-40 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 120.683 0.277 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.63 -47.51 88.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 130.104 3.362 . . . . 0.0 110.621 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.673 ' CD2' HE22 ' C' ' 55' ' ' GLN . 86.3 mt -65.57 -41.46 92.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.101 0.477 . . . . 1.03 110.982 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.61 -47.91 90.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.806 -0.634 . . . . 1.13 110.177 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.452 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 54.5 t-80 -59.17 -45.66 90.43 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.835 -0.346 . . . . 1.96 110.352 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.66 95.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.873 0.368 . . . . 1.01 110.377 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.6 -40.15 96.01 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.229 -0.442 . . . . 1.89 110.242 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.65 -47.13 80.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.472 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.452 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 43.4 m80 -68.0 -46.4 71.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.361 -0.381 . . . . 0.13 110.717 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.8 mt -60.83 -46.17 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.81 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.88 -42.25 98.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.358 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 21.0 p -64.62 -46.78 81.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.143 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 10.9 t -62.12 -49.31 76.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.574 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.74 -48.09 80.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.496 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.82 -44.38 96.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.113 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.22 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.926 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -57.8 -45.72 85.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.29 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.16 -43.77 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.174 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.23 -43.11 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.193 0.52 . . . . 0.0 109.983 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.53 -42.51 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.438 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 75.1 m -58.21 -45.73 87.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 0.0 110.031 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.82 -43.38 96.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.468 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.532 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 72.0 mt -59.03 -43.91 91.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.279 0.561 . . . . 0.0 109.498 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.417 HD11 HG21 ' C' ' 95' ' ' ILE . 87.8 mt -61.01 -42.68 93.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.526 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.78 -40.34 92.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.45 -42.62 99.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.881 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.632 ' NE2' ' NZ ' ' C' ' 30' ' ' LYS . 67.4 m80 -59.71 -40.31 87.54 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.746 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.525 ' O ' ' O ' ' C' ' 102' ' ' LYS . 84.1 tt0 -61.63 -40.74 95.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.107 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.8 -38.31 88.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.17 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.84 -43.11 97.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.399 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . 0.525 ' O ' ' O ' ' C' ' 99' ' ' GLU . 54.4 mtmt -95.97 142.15 28.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.384 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.526 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.517 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 121.869 0.842 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 143.02 36.73 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.32 38.6 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.025 -1.047 . . . . 0.0 109.564 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.4 18.88 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.054 -1.028 . . . . 0.0 108.386 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.92 144.32 19.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.68 136.54 37.07 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 122.155 0.979 . . . . 0.0 110.197 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.89 114.27 24.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.2 p -106.92 -4.23 19.35 Favored 'General case' 0 C--N 1.265 -3.071 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.896 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.78 85.69 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 119.675 -1.891 . . . . 0.0 110.636 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -45.54 -47.61 13.06 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 124.734 3.622 . . . . 0.0 114.086 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.637 HD21 ' CD2' ' C' ' 52' ' ' HIS . 11.2 m120 -102.17 27.5 6.62 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 116.127 -2.229 . . . . 0.0 108.77 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.24 -123.95 21.71 Favored Glycine 0 N--CA 1.495 2.605 0 C-N-CA 117.718 -2.182 . . . . 0.0 109.633 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.4 tp -132.08 76.31 1.69 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.924 -1.339 . . . . 0.0 109.521 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.408 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.4 OUTLIER -83.7 174.14 10.74 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 117.894 -1.522 . . . . 0.0 112.14 -179.562 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.1 p -21.99 -69.41 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.547 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 24.5 ttt-85 -44.23 -66.41 0.47 Allowed Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 120.172 -0.611 . . . . 0.0 112.493 -177.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.9 Cg_endo -64.58 -32.22 58.88 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 C-N-CA 121.675 1.583 . . . . 0.0 111.507 176.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.89 87.16 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.21 -0.931 . . . . 0.0 109.526 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.92 -39.74 72.52 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.98 -39.36 93.95 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 117.995 -1.482 . . . . 0.0 109.494 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.54 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.35 93.19 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.572 1.177 . . . . 0.0 108.646 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.65 -42.22 95.21 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.674 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -63.95 -40.25 96.0 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.281 -0.887 . . . . 0.0 109.734 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.464 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.76 80.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.43 -0.794 . . . . 0.0 109.586 177.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.94 -44.07 91.3 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.752 -1.217 . . . . 0.0 109.445 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.33 -16.15 43.06 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.52 86.15 Favored Glycine 0 N--CA 1.479 1.545 0 O-C-N 119.94 -1.725 . . . . 0.0 109.342 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.5 143.33 32.87 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.271 -1.723 . . . . 0.0 109.995 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.57 -30.05 59.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.227 -0.921 . . . . 0.0 112.353 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.54 10.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 119.818 -1.801 . . . . 0.0 112.829 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.2 35.31 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 102.832 -3.025 . . . . 0.0 102.832 171.223 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.392 0 O-C-N 121.096 -1.002 . . . . 0.0 109.361 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.411 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.3 m -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-O 123.094 1.426 . . . . 0.0 109.9 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.411 ' N ' HG23 ' D' ' 334' ' ' THR . 85.9 t -108.12 129.89 61.58 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.701 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.6 m -127.39 119.58 26.51 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.86 -1.15 . . . . 0.0 108.96 -178.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.0 t -122.59 122.58 39.18 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.591 -0.693 . . . . 0.0 109.898 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.78 38.91 24.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.884 -1.135 . . . . 0.0 112.781 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.07 83.5 Favored Glycine 0 N--CA 1.502 3.088 0 O-C-N 120.001 -1.687 . . . . 0.0 112.557 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.93 136.28 54.58 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.78 158.54 33.09 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-O 123.831 1.777 . . . . 0.0 112.427 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.33 31.27 Favored 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 112.436 -2.165 . . . . 0.0 108.576 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.646 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 7.9 t -70.56 135.97 48.91 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 173.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.01 -6.74 47.52 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.68 -1.262 . . . . 0.0 110.763 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.646 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.47 12.96 31.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.677 -1.264 . . . . 0.0 109.458 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.5 m -133.0 104.16 6.4 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 122.098 0.952 . . . . 0.0 110.197 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.6 tp -57.24 -37.99 73.12 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.918 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -58.86 -51.4 70.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.628 -1.295 . . . . 0.0 113.074 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -69.99 -32.48 70.7 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 119.542 -1.974 . . . . 0.0 109.186 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.76 -33.69 75.69 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.975 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.602 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.71 -10.44 52.45 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.618 -0.676 . . . . 0.0 109.885 -177.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.0 p -89.8 -7.69 53.82 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.935 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . 0.501 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 96.6 mt -93.38 159.27 15.33 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.213 -0.929 . . . . 0.0 110.128 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.91 2.97 Favored Glycine 0 N--CA 1.485 1.943 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.61 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 120.74 -1.447 . . . . 0.0 107.432 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 3.6 p -81.48 172.63 13.28 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.272 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -60.73 140.92 57.37 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.867 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.2 78.93 Favored Glycine 0 N--CA 1.5 2.963 0 C-N-CA 120.02 -1.086 . . . . 0.0 111.375 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.47 135.91 34.05 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.941 -1.329 . . . . 0.0 110.648 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 91.0 t -96.56 123.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.1 160.05 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 119.997 -1.689 . . . . 0.0 110.67 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.5 m -108.83 128.38 54.84 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.516 -1.365 . . . . 0.0 107.594 175.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.87 121.45 60.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.33 50.72 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 -179.599 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.81 153.42 47.09 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.765 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.517 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.79 6.42 Favored 'General case' 0 C--N 1.288 -2.094 0 C-N-CA 118.509 -1.276 . . . . 0.0 107.997 178.229 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.3 40.16 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 117.979 -2.058 . . . . 0.0 110.365 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.58 82.6 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.428 -0.886 . . . . 0.0 112.248 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.65 3.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 118.968 -2.333 . . . . 0.0 108.603 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.25 -33.67 65.64 Favored 'General case' 0 N--CA 1.521 3.124 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.418 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.53 27.75 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.544 -1.972 . . . . 0.0 111.02 -176.562 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.782 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.77 97.83 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.5 77.62 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 117.442 -1.703 . . . . 0.0 110.025 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.78 -42.26 89.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-O 122.231 1.015 . . . . 0.0 109.291 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.86 76.58 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-O 122.107 0.956 . . . . 0.0 108.789 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.782 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.82 -38.33 76.53 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.651 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.54 HD22 ' CE1' ' D' ' 322' ' ' PHE . 79.8 mt -75.63 -28.61 58.87 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.369 -1.457 . . . . 0.0 110.85 -174.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.47 70.94 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.436 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.9 -49.24 63.07 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.464 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.26 -45.27 84.15 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.042 -1.063 . . . . 0.0 110.523 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.28 -37.38 85.31 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.895 -1.128 . . . . 0.0 111.609 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.79 61.58 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.17 -0.956 . . . . 0.0 110.215 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -78.87 -32.33 45.91 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.517 -0.739 . . . . 0.0 111.304 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.06 125.47 12.24 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 124.313 2.006 . . . . 0.0 112.877 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.896 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.2 tt0 . . . . . 0 C--N 1.277 -2.548 0 CA-C-N 111.134 -2.757 . . . . 0.0 110.126 -177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.496 0.189 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.83 -46.91 79.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.946 0.403 . . . . 1.94 110.284 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -67.22 -36.41 81.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.217 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.78 -42.18 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.363 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.9 t -60.29 -44.87 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.93 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -58.91 -40.85 85.76 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.564 -0.532 . . . . 1.04 109.564 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.27 97.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.83 -42.76 99.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.174 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.1 -43.85 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 1.05 109.784 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.02 -44.08 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.553 . . . . 1.02 109.984 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.22 -45.98 92.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.813 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.5 p -60.64 -43.36 97.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.003 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -42.71 98.92 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.576 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 93.7 mm-40 -63.4 -42.52 98.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 -48.98 78.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.883 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.48 -46.39 90.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.0 m -54.69 -43.96 72.97 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.19 -42.0 99.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.689 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.82 76.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.365 0.603 . . . . 0.0 109.388 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.78 -42.79 94.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.557 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.0 93.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.72 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.67 -42.62 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.652 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.62 -45.58 93.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.485 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.96 -41.88 75.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 36' ' ' ALA . 26.2 mt-30 -62.01 -41.5 98.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.857 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.86 93.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.701 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.63 -28.82 69.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.14 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -80.4 -4.58 54.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.462 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.97 14.61 69.18 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.35 79.23 2.51 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -64.51 -34.73 78.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.676 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.33 83.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.063 0.459 . . . . 0.0 110.742 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' C ' ' NE2' ' A' ' 28' ' ' GLN . . . -65.45 -34.9 79.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.322 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.36 83.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.605 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.35 -42.61 99.54 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.591 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.1 98.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.801 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.36 -42.02 93.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.486 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.01 -40.76 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.633 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.65 -44.97 94.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.84 -41.13 97.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.212 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -61.11 -45.69 93.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.685 ' HE ' HH12 ' A' ' 88' ' ' ARG . 41.2 ttm180 -60.99 -42.23 98.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.323 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.3 -42.24 99.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.158 0.504 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.58 99.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.157 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.06 -39.21 89.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.736 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.41 -42.89 96.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.307 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.6 -39.89 92.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.226 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.51 80.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -62.2 -37.84 86.86 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.061 -0.518 . . . . 0.13 110.439 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.02 -43.97 98.1 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.33 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.43 -42.87 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.013 0.435 . . . . 0.0 110.05 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.435 HE22 ' CG1' ' A' ' 59' ' ' ILE . 9.3 tm0? -60.65 -44.27 96.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.239 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -56.7 -42.64 79.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 1.03 110.037 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.76 -38.61 88.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.425 . . . . 0.0 110.58 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.94 -29.15 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.685 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.435 ' CG1' HE22 ' A' ' 55' ' ' GLN . 95.9 mt -88.47 -32.13 5.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 1.01 110.812 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.416 ' HG ' ' CG ' ' A' ' 74' ' ' LEU . 5.7 p . . . . . 0 C--O 1.227 -0.126 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 mt -58.05 -44.54 87.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.619 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.3 t -65.83 -47.02 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.904 0.383 . . . . 0.0 110.595 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.416 ' CG ' ' HG ' ' A' ' 71' ' ' SER . 93.2 mt -64.5 -43.18 94.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.206 -0.452 . . . . 1.03 110.884 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.94 -47.84 91.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.753 -0.658 . . . . 1.12 110.218 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.42 -46.14 89.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.778 0.323 . . . . 0.0 110.317 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.77 90.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.466 -0.333 . . . . 1.01 110.607 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -61.59 -38.43 87.52 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.89 110.159 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.2 tp -56.78 -47.59 79.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.403 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -68.09 -47.54 67.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.277 -0.419 . . . . 0.13 110.703 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.18 -47.09 87.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.865 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.76 -42.89 99.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.217 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.2 p -63.5 -45.56 90.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.068 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.98 -47.45 84.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.387 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.55 -46.92 83.33 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.545 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.99 -44.38 96.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.077 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.07 80.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.871 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.685 HH12 ' HE ' ' A' ' 45' ' ' ARG . 71.4 ttp85 -58.4 -44.78 89.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.186 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.5 mt-10 -61.53 -43.48 98.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.115 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.6 mt -64.47 -43.45 94.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.177 0.513 . . . . 0.0 109.767 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.93 -42.49 92.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.224 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 m -58.03 -46.26 85.61 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.2 -43.31 98.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.607 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 23.1 mt -59.06 -43.25 91.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.324 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.03 -42.87 94.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.537 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -61.38 -39.86 92.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.42 -42.22 99.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.835 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -60.88 -39.8 90.62 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.01 -38.25 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.184 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -63.85 -40.71 97.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.218 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.417 179.773 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 CA--C 1.521 -0.152 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.02 -46.87 79.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 1.94 110.393 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -67.22 -36.15 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.23 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 82.4 t -64.06 -42.22 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.7 t -60.35 -44.61 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.866 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.25 -40.89 87.39 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.522 -0.548 . . . . 1.05 109.522 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.49 -42.27 97.59 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.86 -42.67 99.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.354 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.24 -44.03 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.933 -0.576 . . . . 1.08 109.711 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -44.49 98.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.916 -0.583 . . . . 1.02 109.98 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -60.83 -46.3 91.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.844 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -60.11 -43.53 95.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.159 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.13 99.09 Favored Glycine 0 C--N 1.332 0.352 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.2 -42.38 99.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -48.65 80.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.866 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.63 -46.49 90.08 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 69.6 m -54.69 -43.64 72.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.37 -42.45 98.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.733 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.85 76.12 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.46 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.0 m-85 -59.77 -42.72 93.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.596 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.63 93.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.62 91.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.617 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.42 -45.92 92.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.347 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -55.63 -42.33 74.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.538 ' NE2' ' C ' ' B' ' 36' ' ' ALA . 26.3 mt-30 -61.63 -41.55 97.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.813 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.88 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.719 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.88 -28.48 69.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.068 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -80.58 -4.95 55.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.432 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.27 14.34 69.05 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.06 79.37 2.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.765 0.316 . . . . 0.0 110.289 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -64.83 -34.73 79.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.61 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.58 82.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.04 0.448 . . . . 0.0 110.781 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.538 ' C ' ' NE2' ' B' ' 28' ' ' GLN . . . -65.12 -35.19 80.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.366 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.37 83.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.608 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.02 -43.0 99.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 110.633 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.23 98.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.644 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.3 -42.23 93.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.69 -40.62 97.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.558 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.85 -44.96 94.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.496 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.89 -40.8 97.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.243 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 41.8 t -61.56 -45.45 94.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.684 ' HE ' HH12 ' B' ' 88' ' ' ARG . 41.3 ttm180 -61.38 -42.26 98.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.261 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.74 -42.81 99.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 110.643 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.58 99.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.135 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.28 -39.22 89.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.749 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.39 -42.45 95.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.331 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.99 -40.16 90.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.16 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.74 -44.68 80.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.422 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.26 -37.75 86.66 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.13 110.294 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.02 -44.0 98.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 68.1 t -66.5 -42.76 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.043 0.449 . . . . 0.0 110.049 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.443 HE22 ' CG1' ' B' ' 59' ' ' ILE . 9.2 tm0? -60.66 -44.26 96.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.242 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -56.82 -42.66 79.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 1.03 110.018 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.71 -38.52 88.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 0.0 110.54 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.02 -28.94 70.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.733 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.443 ' CG1' HE22 ' B' ' 55' ' ' GLN . 96.1 mt -88.78 -32.29 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 1.01 110.779 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.49 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.417 ' HG ' ' CG ' ' B' ' 74' ' ' LEU . 10.0 p . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 121.023 0.44 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 34.8 mt -60.04 -44.7 94.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.633 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 67.6 t -64.39 -46.89 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.625 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.417 ' CG ' ' HG ' ' B' ' 71' ' ' SER . 91.0 mt -64.4 -43.05 95.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.126 0.489 . . . . 1.03 111.013 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.89 -47.68 92.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.781 -0.645 . . . . 1.12 110.309 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -59.46 -46.36 88.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.828 -0.349 . . . . 2.11 110.346 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.91 90.13 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.928 0.394 . . . . 1.01 110.448 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -61.25 -38.7 87.62 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.146 -0.479 . . . . 1.89 110.194 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp -56.97 -47.31 81.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.403 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -68.13 -47.45 68.08 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.821 -0.352 . . . . 0.14 110.705 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.36 -47.0 87.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.856 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.66 -43.04 99.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.246 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.6 p -63.39 -45.33 91.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.192 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -62.1 -47.28 85.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.86 -46.86 84.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.482 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.67 -44.8 96.27 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.44 79.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.935 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.684 HH12 ' HE ' ' B' ' 45' ' ' ARG . 71.9 ttp85 -57.83 -45.01 86.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.252 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.458 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -61.53 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.176 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.42 -43.16 95.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 110.01 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.12 -42.52 93.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.237 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 71.2 m -58.02 -46.12 85.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.041 0.448 . . . . 0.0 109.828 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.43 -42.91 98.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.45 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.553 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 23.4 mt -59.5 -43.26 93.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.95 -43.04 95.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.55 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -61.07 -40.13 92.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.733 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.35 -42.02 99.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.803 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.7 m80 -61.0 -40.07 92.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -63.65 -38.78 92.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.094 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.48 -40.71 97.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.197 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.344 179.753 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.592 0.234 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.83 -46.71 80.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.836 0.35 . . . . 1.94 110.443 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.41 -36.45 81.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.305 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.58 -42.03 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.7 -44.42 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.001 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.34 -41.4 89.1 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.601 -0.518 . . . . 1.05 109.601 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.92 -42.33 98.38 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.71 -42.77 99.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.394 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.4 -43.6 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 1.09 109.713 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.87 -44.09 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.066 -0.515 . . . . 1.02 110.031 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.32 -45.91 92.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.765 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -60.5 -43.63 96.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.232 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.34 98.84 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -62.73 -43.12 99.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.65 75.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.99 -46.66 88.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.0 m -54.3 -44.58 72.08 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.49 -42.49 99.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.754 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.18 74.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.458 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.41 -43.13 93.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.561 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.67 92.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.668 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.37 90.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.564 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.73 -45.77 92.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.464 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -55.95 -41.74 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.548 ' NE2' ' C ' ' C' ' 36' ' ' ALA . 26.2 mt-30 -62.31 -40.93 97.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.874 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.6 94.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.822 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.15 -28.57 69.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.062 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -80.48 -4.92 55.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.417 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.34 14.53 68.48 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -98.48 79.24 2.48 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.6 -34.89 79.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.579 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.12 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.713 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . 0.548 ' C ' ' NE2' ' C' ' 28' ' ' GLN . . . -65.63 -35.1 79.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -47.23 83.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.488 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.07 -43.23 99.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.611 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.16 99.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.768 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.38 -41.98 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.542 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.91 -40.95 97.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.644 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.56 -44.98 94.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.77 -40.82 97.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.279 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -61.64 -45.44 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.562 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.679 ' HE ' HH12 ' C' ' 88' ' ' ARG . 41.6 ttm180 -61.15 -42.24 98.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.96 0.409 . . . . 0.0 110.351 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.89 -42.85 99.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.349 0.595 . . . . 0.0 110.531 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.4 99.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.379 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.48 -39.29 88.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.752 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.37 -42.83 96.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.396 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.68 -40.18 92.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.038 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.17 80.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.474 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.558 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.6 t-80 -61.71 -38.04 86.38 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.932 -0.576 . . . . 0.14 110.328 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.88 -44.16 97.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.29 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.15 -42.86 92.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.044 0.449 . . . . 0.0 109.997 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.449 HE22 ' CG1' ' C' ' 59' ' ' ILE . 9.2 tm0? -60.88 -44.25 97.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.225 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -56.71 -42.46 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 1.03 110.173 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.99 -38.55 88.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.496 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.75 -29.25 70.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.794 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.449 ' CG1' HE22 ' C' ' 55' ' ' GLN . 95.9 mt -88.4 -32.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 1.01 110.861 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 80.3 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 120.621 0.248 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.89 -47.33 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 130.13 3.372 . . . . 0.0 110.633 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.63 -42.96 85.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.067 0.46 . . . . 1.03 110.973 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.96 -47.97 91.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.771 -0.65 . . . . 1.13 110.23 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -59.73 -46.61 88.59 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.894 -0.322 . . . . 1.96 110.264 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.9 -45.68 91.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.851 0.357 . . . . 1.01 110.374 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -61.35 -38.59 87.5 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.26 -0.427 . . . . 1.89 110.276 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp -56.87 -47.59 80.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.472 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -67.93 -47.66 68.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 0.13 110.749 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.1 -47.16 87.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.822 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.43 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.38 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.4 p -63.24 -45.11 93.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.195 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.13 -47.56 84.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.4 -47.27 82.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.436 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.49 -44.86 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.188 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.25 79.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.869 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.679 HH12 ' HE ' ' C' ' 45' ' ' ARG . 71.5 ttp85 -58.17 -44.84 88.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.219 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.139 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.46 -43.36 94.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 109.97 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.85 -42.69 93.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.4 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.7 m -57.88 -46.07 85.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.442 . . . . 0.0 109.986 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.39 -43.24 98.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.473 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.555 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 22.8 mt -59.09 -43.28 91.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 84.7 mt -61.05 -43.07 95.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.631 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.78 -40.3 92.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.148 0.499 . . . . 0.0 109.829 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.05 -42.33 99.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.885 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.555 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.8 m80 -60.77 -39.99 90.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.588 ' O ' ' N ' ' C' ' 103' ' ' ALA . 81.4 tt0 -63.67 -39.0 93.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.062 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.21 -40.56 97.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.249 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.01 -41.98 97.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.296 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -93.25 -6.23 48.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.438 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.446 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.517 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.905 0.86 . . . . 0.0 108.881 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.08 36.66 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.31 38.51 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.0 -1.063 . . . . 0.0 109.556 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.13 149.21 28.53 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.28 152.31 19.0 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.025 -1.047 . . . . 0.0 108.364 178.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.76 144.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.72 136.57 37.07 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 122.162 0.982 . . . . 0.0 110.131 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.86 114.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.87 -4.34 19.31 Favored 'General case' 0 C--N 1.265 -3.067 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.893 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.42 141.87 86.08 Favored Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 119.612 -1.93 . . . . 0.0 110.612 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.59 -47.6 13.19 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 124.7 3.6 . . . . 0.0 114.184 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.558 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.0 m-20 -102.17 27.49 6.63 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 116.125 -2.23 . . . . 0.0 108.799 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.11 -127.5 27.34 Favored Glycine 0 N--CA 1.497 2.715 0 C-N-CA 117.698 -2.192 . . . . 0.0 109.538 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.04 78.06 1.82 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.861 -1.376 . . . . 0.0 109.482 -177.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.408 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.5 OUTLIER -84.56 176.38 8.65 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 117.891 -1.524 . . . . 0.0 112.108 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 13.6 p -21.65 -69.58 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.576 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 4.5 ttt-85 -45.01 -66.16 0.53 Allowed Pre-proline 0 N--CA 1.493 1.709 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.499 -177.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.6 Cg_endo -64.85 -32.16 56.04 Favored 'Trans proline' 0 N--CA 1.485 0.985 0 C-N-CA 121.904 1.736 . . . . 0.0 111.434 176.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.84 86.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.209 -0.932 . . . . 0.0 109.505 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.75 72.41 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -63.91 -39.4 94.08 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 117.965 -1.494 . . . . 0.0 109.493 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.545 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.72 -45.23 93.71 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 122.575 1.178 . . . . 0.0 108.748 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.72 -42.21 95.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.623 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -63.9 -40.26 96.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.226 -0.921 . . . . 0.0 109.763 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.463 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.73 -39.7 80.23 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.381 -0.824 . . . . 0.0 109.617 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.95 91.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.551 -1.343 . . . . 0.0 109.422 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.41 -16.19 44.17 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 121.315 -0.866 . . . . 0.0 113.323 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.88 -10.55 86.08 Favored Glycine 0 N--CA 1.478 1.499 0 O-C-N 119.955 -1.715 . . . . 0.0 109.339 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.414 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.49 143.29 32.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.231 -1.746 . . . . 0.0 110.03 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.4 p -75.57 -30.05 59.53 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.229 -0.919 . . . . 0.0 112.325 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.75 158.61 10.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 119.806 -1.809 . . . . 0.0 112.826 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.28 35.36 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 102.807 -3.034 . . . . 0.0 102.807 171.291 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.71 136.52 60.58 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.415 0 O-C-N 121.112 -0.993 . . . . 0.0 109.278 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.0 m -124.93 143.19 50.99 Favored 'General case' 0 C--N 1.284 -2.248 0 CA-C-O 123.091 1.424 . . . . 0.0 109.978 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 87.0 t -108.04 129.93 61.39 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.744 0 N-CA-C 105.551 -2.018 . . . . 0.0 105.551 173.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.1 m -127.45 119.59 26.46 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.859 -1.151 . . . . 0.0 108.895 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.58 122.6 39.25 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.906 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.85 38.85 24.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.868 -1.145 . . . . 0.0 112.767 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.02 83.53 Favored Glycine 0 N--CA 1.502 3.056 0 O-C-N 119.972 -1.705 . . . . 0.0 112.588 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.89 136.29 54.56 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.79 158.47 33.27 Favored 'General case' 0 C--N 1.275 -2.646 0 CA-C-O 123.809 1.766 . . . . 0.0 112.467 -176.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.58 151.4 31.5 Favored 'General case' 0 C--N 1.279 -2.493 0 CA-C-N 112.472 -2.149 . . . . 0.0 108.585 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.648 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.56 135.88 48.85 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.92 -6.77 47.44 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.692 -1.255 . . . . 0.0 110.73 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.648 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.45 12.93 31.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.612 -1.305 . . . . 0.0 109.39 -177.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.8 t -133.1 104.11 6.35 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 122.215 1.007 . . . . 0.0 110.174 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.1 tp -57.17 -37.92 72.82 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.968 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -59.03 -51.28 70.74 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.61 -1.306 . . . . 0.0 113.021 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.04 -32.47 70.62 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 119.527 -1.983 . . . . 0.0 109.223 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.7 -33.78 75.8 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.932 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.547 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.7 -10.41 52.19 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.731 -0.606 . . . . 0.0 109.953 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.3 p -89.76 -7.79 53.66 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.965 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . 0.46 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 94.9 mt -93.3 159.27 15.34 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 110.16 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.79 2.96 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 106.889 -2.485 . . . . 0.0 106.889 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.55 47.43 1.71 Allowed 'General case' 0 C--N 1.308 -1.222 0 O-C-N 120.745 -1.444 . . . . 0.0 107.467 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 3.8 p -81.45 172.51 13.43 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.864 -1.134 . . . . 0.0 109.232 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.7 140.92 57.33 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.384 -0.926 . . . . 0.0 109.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.2 78.87 Favored Glycine 0 N--CA 1.5 2.91 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.35 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.41 135.89 34.09 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.919 -1.342 . . . . 0.0 110.641 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.48 123.69 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.11 160.03 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 C-N-CA 117.474 -1.69 . . . . 0.0 110.702 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.91 128.42 54.91 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 120.519 -1.363 . . . . 0.0 107.571 175.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.94 121.46 60.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 176.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.26 50.72 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -179.555 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.43 47.11 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 118.498 -1.281 . . . . 0.0 109.728 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.517 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.73 6.4 Favored 'General case' 0 C--N 1.288 -2.101 0 C-N-CA 118.585 -1.246 . . . . 0.0 108.045 178.241 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.3 40.16 Favored Glycine 0 C--N 1.296 -1.664 0 C-N-CA 118.019 -2.039 . . . . 0.0 110.377 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.59 82.48 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.28 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.07 36.84 3.52 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 115.844 -2.342 . . . . 0.0 108.583 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.44 -33.51 65.93 Favored 'General case' 0 N--CA 1.521 3.095 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -174.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.429 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.66 27.52 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.575 -1.953 . . . . 0.0 110.996 -176.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.782 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.5 -40.73 97.84 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.49 77.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 117.475 -1.69 . . . . 0.0 110.018 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.83 -42.19 88.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-O 122.192 0.996 . . . . 0.0 109.323 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.87 -47.87 76.57 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.05 0.929 . . . . 0.0 108.755 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.782 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.81 -38.35 76.57 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.686 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.545 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.4 mt -75.54 -28.69 59.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.385 -1.447 . . . . 0.0 110.853 -174.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.54 -39.4 70.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.414 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.25 62.98 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.463 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.33 -45.16 84.57 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.956 -1.098 . . . . 0.0 110.548 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.33 -37.42 85.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.864 -1.147 . . . . 0.0 111.526 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.84 61.67 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.113 -0.992 . . . . 0.0 110.224 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 -32.33 46.18 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.544 -0.723 . . . . 0.0 111.377 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.02 125.42 12.07 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 124.32 2.01 . . . . 0.0 112.921 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.893 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.278 -2.543 0 CA-C-N 111.124 -2.762 . . . . 0.0 110.186 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.26 -47.26 80.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.927 0.394 . . . . 1.94 110.266 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -67.44 -34.84 78.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.19 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.17 -42.71 96.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.359 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.38 -44.43 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.018 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.1 mtp -59.22 -41.85 89.64 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.532 -0.544 . . . . 1.04 109.532 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.02 -42.41 98.21 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.8 mt -63.56 -42.15 98.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.172 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.476 HG12 ' HD1' ' A' ' 80' ' ' HIS . 96.8 mt -63.11 -44.94 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 1.05 109.811 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.86 -44.45 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 1.02 109.954 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -60.5 -46.36 90.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.851 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.4 m -59.59 -43.81 93.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.967 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.558 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.38 -42.2 99.18 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.01 -42.41 99.82 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -49.13 78.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.883 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -60.2 -45.98 91.3 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -55.1 -44.79 75.23 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.84 -42.57 99.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.728 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.68 -50.92 72.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.4 -42.48 91.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.578 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.58 90.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.715 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.48 86.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.662 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.28 -44.88 96.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.463 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.31 -42.68 74.02 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.0 -41.79 92.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.756 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.58 91.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.644 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.29 -30.04 70.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.171 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -80.11 -3.51 49.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.46 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.95 12.22 81.48 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -94.89 81.95 3.81 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.754 0.311 . . . . 0.0 110.306 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -64.65 -34.62 78.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.665 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.77 86.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.025 0.441 . . . . 0.0 110.739 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.77 81.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.301 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.05 -47.99 80.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.559 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.51 -43.06 99.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.612 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.44 98.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mmm -66.28 -42.06 88.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.476 ' O ' ' OG ' ' A' ' 44' ' ' SER . 74.1 mtm -63.87 -41.55 97.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.611 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.86 -46.32 89.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.02 0.438 . . . . 0.0 110.499 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.43 -40.87 98.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.126 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 41' ' ' MET . 79.4 p -61.28 -46.15 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.508 ' CZ ' ' NH1' ' A' ' 88' ' ' ARG . 62.9 ttm-85 -60.36 -42.61 96.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.296 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.2 mmm -61.48 -42.79 99.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.194 0.521 . . . . 0.0 110.56 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.73 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.18 -39.83 93.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.09 -42.02 97.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.318 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.58 -39.75 91.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.216 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.12 -44.04 80.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.401 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.16 -37.86 88.91 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.046 -0.525 . . . . 0.13 110.38 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.37 -43.76 98.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.29 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.47 -43.31 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.687 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.37 -42.77 96.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -58.61 -41.74 86.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 1.03 110.062 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.2 -38.81 92.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.943 0.402 . . . . 0.0 110.544 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.97 -26.98 68.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.634 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.439 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 96.7 mt -83.66 -30.36 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.072 -0.513 . . . . 1.01 110.882 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.458 179.658 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.628 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 4.2 p . . . . . 0 C--O 1.227 -0.118 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.17 -48.8 75.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.616 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.85 -45.23 99.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.852 0.358 . . . . 0.0 110.521 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.687 ' CD2' HE22 ' A' ' 55' ' ' GLN . 77.8 mt -62.23 -40.52 96.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.077 0.465 . . . . 1.03 110.897 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.68 -48.35 89.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.747 -0.661 . . . . 1.12 110.149 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.69 -46.49 88.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.777 0.322 . . . . 0.0 110.34 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.65 99.51 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.759 0.314 . . . . 1.01 110.635 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -62.75 -39.2 93.41 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.89 110.199 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 tp -56.89 -46.26 82.03 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.372 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.476 ' HD1' HG12 ' A' ' 12' ' ' ILE . 63.3 m170 -67.16 -47.23 71.64 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.678 -0.409 . . . . 0.13 110.725 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.27 -44.98 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.841 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -62.03 -43.17 99.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.214 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.1 p -64.59 -46.47 82.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.1 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -62.58 -49.04 76.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.1 ttp -57.95 -48.04 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.552 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.99 -45.26 94.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.117 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -47.76 84.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.843 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.508 ' NH1' ' CZ ' ' A' ' 45' ' ' ARG . 9.0 tmm_? -58.23 -45.96 86.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.065 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.503 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.8 mt-10 -61.4 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.122 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.38 -42.53 96.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.14 0.495 . . . . 0.0 109.84 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -60.85 -42.46 92.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.292 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.8 m -57.99 -46.18 85.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.012 0.434 . . . . 0.0 109.914 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.37 -43.22 98.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.563 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 18.1 mt -59.25 -43.05 92.46 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.404 HG21 HD12 ' A' ' 95' ' ' ILE . 88.8 mt -61.3 -42.46 93.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.559 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -62.54 -39.29 93.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.14 -41.63 98.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.83 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.5 m80 -60.82 -38.99 87.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.18 -39.12 91.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.193 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.31 -38.66 90.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.198 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.426 179.742 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.591 0.234 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -64.45 -47.33 79.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.967 0.413 . . . . 1.94 110.335 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -67.06 -34.95 78.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.189 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.32 -42.58 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.38 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.64 -44.43 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.88 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.3 mtp -59.14 -41.56 88.59 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.561 -0.533 . . . . 1.05 109.561 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.59 97.61 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.0 mt -63.35 -42.16 98.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.813 0.34 . . . . 0.0 110.347 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.448 HG12 ' HD1' ' B' ' 80' ' ' HIS . 95.9 mt -63.17 -44.98 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.933 -0.576 . . . . 1.08 109.751 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.8 -44.43 98.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.993 -0.548 . . . . 1.02 109.884 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -60.61 -46.19 91.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.763 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 51.2 m -59.62 -43.82 93.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.124 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.52 -41.82 99.11 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.2 -42.38 99.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.21 78.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.88 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -60.04 -45.8 91.61 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -55.44 -44.72 76.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.72 -42.53 99.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.709 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.55 73.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.503 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.66 -42.11 92.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.685 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.76 91.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.661 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.68 86.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.628 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.31 -44.91 96.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.302 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.33 -42.7 74.12 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -60.21 -41.36 92.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.868 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.68 92.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.703 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.13 -30.24 70.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.01 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -80.08 -3.32 48.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.8 12.11 81.86 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -94.77 82.07 3.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.844 0.354 . . . . 0.0 110.339 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -64.76 -34.91 79.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.594 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.21 -46.66 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.032 0.444 . . . . 0.0 110.78 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.51 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.45 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.05 79.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.494 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.41 -43.33 99.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.559 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.19 -42.52 99.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mmm -66.31 -42.11 88.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.472 ' O ' ' OG ' ' B' ' 44' ' ' SER . 73.9 mtm -63.72 -41.58 98.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.59 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -61.99 -46.29 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.13 -41.02 99.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.341 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' B' ' 41' ' ' MET . 79.0 p -61.16 -46.09 91.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.471 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.526 ' CZ ' ' NH1' ' B' ' 88' ' ' ARG . 62.8 ttm-85 -60.72 -42.15 96.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.279 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.66 -42.85 99.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.244 0.545 . . . . 0.0 110.612 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.38 99.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.175 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.61 -39.53 91.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.751 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -61.34 -41.84 97.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.364 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.9 -39.43 90.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.169 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -44.17 80.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.441 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.23 -37.9 89.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.13 110.381 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.33 -43.65 98.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.48 -43.25 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.076 0.465 . . . . 0.0 110.019 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.676 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.49 -42.54 96.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -58.87 -41.89 88.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 1.03 109.961 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -39.12 93.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.404 . . . . 0.0 110.554 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.72 -27.11 68.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.711 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.455 ' CD1' ' OE1' ' B' ' 55' ' ' GLN . 96.7 mt -83.42 -30.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.067 -0.515 . . . . 1.01 110.805 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.49 179.678 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.614 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 7.0 p . . . . . 0 N--CA 1.46 0.075 0 CA-C-O 121.061 0.457 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.36 -48.21 82.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.605 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.33 -45.06 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.594 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.676 ' CD2' HE22 ' B' ' 55' ' ' GLN . 76.6 mt -62.12 -40.75 96.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.169 0.509 . . . . 1.03 110.969 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.31 -47.98 90.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.755 -0.657 . . . . 1.12 110.264 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.447 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 61.4 t60 -59.03 -47.25 85.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.886 -0.326 . . . . 2.11 110.309 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.62 99.59 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.916 0.389 . . . . 1.01 110.461 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' C' ' 76' ' ' HIS . 52.3 tt0 -62.59 -39.24 93.11 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.89 110.229 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 tp -57.03 -45.94 82.74 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.393 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.448 ' HD1' HG12 ' B' ' 12' ' ' ILE . 63.4 m170 -67.54 -46.89 71.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.322 -0.399 . . . . 0.14 110.69 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.46 -45.15 95.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.859 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -61.81 -43.48 98.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.248 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.6 p -64.3 -46.45 83.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.108 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -62.66 -48.86 77.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -58.19 -47.9 81.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.484 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.94 -45.38 93.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.59 84.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.905 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.526 ' NH1' ' CZ ' ' B' ' 45' ' ' ARG . 8.9 tmm_? -58.52 -45.55 88.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.258 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.508 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.4 mt-10 -61.66 -42.98 99.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.165 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.73 -42.33 95.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.076 0.465 . . . . 0.0 109.966 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.1 mt -61.08 -42.55 93.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.159 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.0 m -57.87 -46.22 85.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.009 0.433 . . . . 0.0 109.888 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.37 -43.14 98.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.506 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.565 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 18.5 mt -59.32 -43.09 92.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.47 -42.54 94.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.507 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -62.33 -39.25 92.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.17 -41.58 98.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.916 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 68.6 m80 -60.84 -38.97 87.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.754 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.26 -39.31 92.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.108 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.02 -39.12 92.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.177 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.377 179.707 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.653 0.263 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -64.46 -47.22 79.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 1.94 110.328 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.42 -34.62 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.314 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.54 -42.12 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.429 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.12 -44.51 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.002 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.2 mtp -58.99 -42.02 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.555 -0.535 . . . . 1.05 109.555 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -42.77 98.52 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.19 -42.3 99.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.911 0.386 . . . . 0.0 110.401 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.454 HG12 ' HD1' ' C' ' 80' ' ' HIS . 96.2 mt -63.0 -44.88 99.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 1.09 109.67 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.413 HD11 HG21 ' C' ' 13' ' ' ILE . 93.5 mt -63.81 -44.25 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.055 -0.52 . . . . 1.02 109.993 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -60.87 -46.3 91.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.813 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 51.7 m -59.45 -43.69 93.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.227 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.04 98.88 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.21 -42.24 99.26 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.32 78.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.764 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -60.08 -46.08 90.75 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -55.13 -44.96 75.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.46 -42.72 99.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.69 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.93 72.19 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.508 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.0 m-85 -59.36 -42.52 91.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.52 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.7 90.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.51 85.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.627 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.42 -44.92 96.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.338 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.34 -42.7 74.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.1 -41.51 92.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.878 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.92 91.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.839 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.13 -30.17 70.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.097 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -79.83 -3.76 49.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.428 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.1 12.04 81.54 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -94.56 82.43 3.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.792 0.33 . . . . 0.0 110.293 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -65.27 -34.47 78.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.518 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.38 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.064 0.459 . . . . 0.0 110.753 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.53 80.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.345 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.28 -48.06 79.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.527 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.3 -43.4 98.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.583 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.67 99.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.78 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.8 mmm -66.06 -42.06 89.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.483 ' O ' ' OG ' ' C' ' 44' ' ' SER . 73.6 mtm -63.9 -41.65 97.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.646 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.81 -46.4 89.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.476 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.09 -41.11 99.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.286 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' SER . . . . . 0.483 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.2 p -61.0 -46.2 91.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.476 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.517 ' CZ ' ' NH1' ' C' ' 88' ' ' ARG . 63.0 ttm-85 -60.57 -42.23 96.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.334 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.66 -42.81 99.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.323 0.582 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.39 99.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.362 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.65 -39.44 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.726 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.77 -41.5 97.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.315 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.92 -39.66 90.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.024 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -44.63 79.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.37 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.407 ' CD2' ' HA ' ' D' ' 312' ' ' ASN . 82.1 t60 -62.58 -37.82 87.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.14 110.305 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -61.54 -43.56 98.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.808 0.337 . . . . 0.0 110.328 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.39 -43.44 94.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.996 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.696 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -60.39 -42.81 96.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.226 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.3 m -58.63 -41.92 87.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 1.03 110.159 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.98 -39.03 93.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.522 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.77 -26.97 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.822 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.447 ' CD1' ' OE1' ' C' ' 55' ' ' GLN . 96.7 mt -83.51 -30.23 7.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 1.01 110.819 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.539 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.3 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 CA--C 1.518 -0.259 0 CA-C-O 120.643 0.258 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.87 -45.15 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 130.108 3.363 . . . . 0.0 110.627 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.696 ' CD2' HE22 ' C' ' 55' ' ' GLN . 78.0 mt -64.29 -40.26 95.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.13 0.491 . . . . 1.03 110.933 177.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.84 -48.43 88.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.788 -0.642 . . . . 1.13 110.165 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.435 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 61.9 t60 -59.04 -47.39 85.38 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.926 -0.31 . . . . 1.96 110.362 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.34 99.58 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.841 0.353 . . . . 1.01 110.423 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -62.79 -39.21 93.51 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.198 -0.455 . . . . 1.89 110.204 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.86 -46.41 81.79 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.551 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.454 ' HD1' HG12 ' C' ' 12' ' ' ILE . 63.2 m170 -66.98 -47.34 71.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.405 . . . . 0.13 110.761 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.07 -45.29 95.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.845 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.68 -43.43 98.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.355 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -64.32 -46.62 82.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.241 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.8 t -62.46 -48.56 79.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -58.47 -47.91 82.51 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.503 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.87 -45.08 95.32 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.181 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.87 83.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.869 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.517 ' NH1' ' CZ ' ' C' ' 45' ' ' ARG . 8.9 tmm_? -58.25 -45.7 87.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.238 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.27 -43.52 98.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.197 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.4 -42.45 96.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 109.949 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.83 -42.45 92.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.351 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.5 m -58.24 -45.61 87.43 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.586 -0.445 . . . . 0.0 109.966 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.94 -43.0 97.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.508 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 18.7 mt -59.25 -43.06 92.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.38 -42.66 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.588 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.2 -39.16 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.31 -41.55 98.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.863 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.7 m80 -60.86 -39.21 88.26 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.8 tt0 -61.97 -39.53 92.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.077 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.87 -39.06 92.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.235 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.53 -41.7 98.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.305 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' C' ' 99' ' ' GLU . 68.5 mttm -92.73 140.22 29.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.557 179.838 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.518 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 121.913 0.863 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.8 143.0 36.66 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.495 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.01 156.27 38.51 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.073 -1.017 . . . . 0.0 109.576 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.08 149.24 28.6 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.26 152.37 18.93 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.03 -1.044 . . . . 0.0 108.407 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.91 144.37 19.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.3 m -96.66 136.63 36.92 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 122.085 0.945 . . . . 0.0 110.116 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.94 114.32 24.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.9 -4.3 19.31 Favored 'General case' 0 C--N 1.264 -3.115 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.889 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.84 85.88 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 119.718 -1.864 . . . . 0.0 110.593 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.51 -47.64 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 124.652 3.568 . . . . 0.0 114.198 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.407 ' HA ' ' CD2' ' C' ' 52' ' ' HIS . 99.4 m-20 -102.15 27.57 6.55 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 116.061 -2.256 . . . . 0.0 108.763 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.44 -121.42 15.24 Favored Glycine 0 N--CA 1.495 2.607 0 C-N-CA 117.729 -2.176 . . . . 0.0 109.637 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.3 tp -135.06 75.48 1.57 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.995 -1.297 . . . . 0.0 109.517 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.409 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.4 OUTLIER -83.47 175.64 9.66 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 117.879 -1.529 . . . . 0.0 112.161 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.612 ' HG1' ' H ' ' D' ' 317' ' ' ARG . 4.7 p -21.8 -71.31 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 -176.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.612 ' H ' ' HG1' ' D' ' 316' ' ' THR . 14.7 ttt-85 -43.37 -66.63 0.42 Allowed Pre-proline 0 N--CA 1.493 1.676 0 C-N-CA 120.211 -0.596 . . . . 0.0 112.483 -177.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 21.0 Cg_endo -64.52 -32.24 59.56 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.394 1.396 . . . . 0.0 111.516 177.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.84 86.78 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.227 -0.921 . . . . 0.0 109.473 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.76 72.55 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.96 -39.4 94.06 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 117.993 -1.483 . . . . 0.0 109.48 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.54 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.71 -45.24 93.67 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 122.559 1.171 . . . . 0.0 108.726 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.67 -42.28 95.45 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.25 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.631 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -63.9 -40.25 96.07 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 109.768 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.83 -39.63 79.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.486 -0.759 . . . . 0.0 109.589 177.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.95 92.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.607 -1.308 . . . . 0.0 109.403 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.3 -16.24 43.78 Favored 'General case' 0 N--CA 1.51 2.571 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.53 86.15 Favored Glycine 0 N--CA 1.478 1.462 0 O-C-N 119.881 -1.762 . . . . 0.0 109.284 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.416 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 93.0 m-85 -103.55 143.41 32.77 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.251 -1.735 . . . . 0.0 109.963 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.9 p -75.6 -30.08 59.46 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.25 -0.906 . . . . 0.0 112.338 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.64 9.99 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 119.88 -1.762 . . . . 0.0 112.787 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.04 130.31 35.38 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 171.225 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.76 136.62 60.26 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.391 0 CA-C-O 122.252 1.025 . . . . 0.0 109.238 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.416 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.8 m -124.94 143.2 51.0 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-O 123.067 1.413 . . . . 0.0 109.969 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.416 ' N ' HG23 ' D' ' 334' ' ' THR . 85.6 t -108.17 129.96 61.55 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.723 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 173.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.4 m -127.46 119.6 26.48 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.776 -1.202 . . . . 0.0 108.953 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.59 122.58 39.18 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.568 -0.708 . . . . 0.0 109.864 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.79 38.89 24.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.828 -1.17 . . . . 0.0 112.754 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.08 83.46 Favored Glycine 0 N--CA 1.502 3.094 0 O-C-N 119.97 -1.706 . . . . 0.0 112.502 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.87 136.24 54.57 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.8 158.49 33.24 Favored 'General case' 0 C--N 1.275 -2.637 0 CA-C-O 123.76 1.743 . . . . 0.0 112.429 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.6 151.4 31.48 Favored 'General case' 0 C--N 1.278 -2.516 0 CA-C-N 112.477 -2.147 . . . . 0.0 108.598 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.644 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.59 135.93 48.83 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.99 -6.72 47.32 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.711 -1.243 . . . . 0.0 110.709 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.644 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.53 12.99 31.54 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.652 -1.28 . . . . 0.0 109.356 -177.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 90.6 p -133.12 104.16 6.37 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.171 0.986 . . . . 0.0 110.118 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.22 -37.89 72.91 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.011 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -58.91 -51.3 70.61 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.604 -1.31 . . . . 0.0 113.085 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -70.17 -32.37 70.29 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 119.614 -1.929 . . . . 0.0 109.197 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.81 -33.76 75.88 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.923 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.539 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.63 -10.44 52.23 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.698 -0.626 . . . . 0.0 109.963 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 43.0 p -89.82 -7.73 53.67 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 118.061 -1.456 . . . . 0.0 110.885 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.31 159.31 15.32 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.236 -0.915 . . . . 0.0 110.129 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.8 2.96 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 106.873 -2.491 . . . . 0.0 106.873 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.5 47.31 1.73 Allowed 'General case' 0 C--N 1.309 -1.178 0 O-C-N 120.711 -1.464 . . . . 0.0 107.454 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.7 p -81.36 172.51 13.48 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 118.816 -1.153 . . . . 0.0 109.251 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.64 140.84 57.29 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.828 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.24 78.82 Favored Glycine 0 N--CA 1.5 2.935 0 C-N-CA 120.068 -1.063 . . . . 0.0 111.36 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.4 135.88 34.09 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.906 -1.349 . . . . 0.0 110.635 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.48 123.74 48.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.23 160.09 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.598 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.91 128.4 54.89 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.509 -1.37 . . . . 0.0 107.545 175.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.87 121.43 60.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.66 147.22 50.73 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 118.524 -1.27 . . . . 0.0 109.758 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.518 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.28 110.73 6.37 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 118.566 -1.254 . . . . 0.0 108.05 178.195 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.2 40.13 Favored Glycine 0 C--N 1.296 -1.663 0 C-N-CA 118.018 -2.039 . . . . 0.0 110.434 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.42 -40.62 82.97 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 114.474 -0.863 . . . . 0.0 112.167 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.04 36.76 3.56 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 115.919 -2.312 . . . . 0.0 108.537 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.36 -33.59 65.82 Favored 'General case' 0 N--CA 1.522 3.175 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.403 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.64 27.64 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 119.629 -1.919 . . . . 0.0 110.975 -176.51 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.777 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.71 97.77 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.52 77.55 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.477 -1.689 . . . . 0.0 109.985 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.75 -42.27 89.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-O 122.275 1.036 . . . . 0.0 109.257 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.95 -47.83 76.88 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-O 121.993 0.901 . . . . 0.0 108.697 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.777 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.83 -38.25 76.46 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.751 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.54 HD22 ' CE1' ' D' ' 322' ' ' PHE . 79.8 mt -75.67 -28.59 58.77 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.329 -1.482 . . . . 0.0 110.854 -174.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.56 -39.35 70.11 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.423 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -68.02 -49.2 62.95 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.25 84.28 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.496 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.31 85.27 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.874 -1.141 . . . . 0.0 111.548 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.81 61.59 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.103 -0.998 . . . . 0.0 110.289 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.28 45.83 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.565 -0.709 . . . . 0.0 111.358 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 125.54 12.39 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 124.314 2.007 . . . . 0.0 112.868 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.889 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 96.1 mt-10 . . . . . 0 C--N 1.278 -2.529 0 CA-C-N 111.116 -2.765 . . . . 0.0 110.116 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.538 0.209 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.88 -46.77 80.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.909 0.385 . . . . 1.94 110.281 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -68.15 -36.63 79.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.276 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.22 -42.55 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.411 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.73 -43.75 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.963 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.6 mtp -59.01 -41.75 88.48 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.559 -0.534 . . . . 1.04 109.559 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.48 -41.25 98.05 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.85 -43.16 99.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.145 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.76 -44.41 99.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.057 -0.52 . . . . 1.05 109.738 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.441 HD11 HG22 ' A' ' 13' ' ' ILE . 90.0 mt -63.78 -44.64 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 1.02 109.992 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.74 -46.93 88.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.782 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -59.64 -43.74 93.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.972 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.26 99.71 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.4 mm-40 -64.13 -42.36 96.86 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.82 76.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.837 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.44 -46.95 88.2 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.512 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.1 p -54.82 -44.18 73.63 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.6 -42.43 98.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.708 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.2 70.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.46 -42.5 92.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.605 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.98 92.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.809 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.89 89.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.683 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.24 -45.13 95.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.476 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -56.09 -41.87 75.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.02 -42.09 97.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.783 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.9 93.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.8 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.59 -29.44 70.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.103 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -80.59 -4.43 54.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.519 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 14.6 69.92 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.21 79.43 2.56 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.797 0.332 . . . . 0.0 110.266 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -64.63 -34.52 78.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.696 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -48.16 80.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.026 0.441 . . . . 0.0 110.803 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.81 82.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.416 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.89 81.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.35 -42.18 99.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.649 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.1 98.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.772 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.5 mmm -65.11 -40.19 94.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.487 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.445 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 91.8 mtp -63.25 -41.23 99.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.587 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.41 -44.64 96.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 0.0 110.521 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -63.32 -41.77 98.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.243 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.2 m -60.36 -46.54 89.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.523 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -60.22 -42.78 95.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.237 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.4 ttp -60.74 -43.97 97.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.197 0.522 . . . . 0.0 110.553 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.68 97.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.148 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.55 -40.54 92.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.639 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.06 -42.57 98.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.176 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.26 -40.02 93.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.205 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -45.66 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.45 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -61.05 -39.48 89.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.058 -0.519 . . . . 0.13 110.443 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.6 mt -60.34 -44.4 95.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.313 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.21 -42.87 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.066 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.405 HE21 HD22 ' A' ' 74' ' ' LEU . 68.1 tp60 -60.39 -43.63 96.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.248 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 92.5 m -57.03 -43.36 81.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 1.03 110.019 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.87 -39.37 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.599 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.65 -30.31 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.67 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.404 HD12 HG21 ' A' ' 59' ' ' ILE . 96.5 mt -85.5 -32.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 1.01 110.775 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.49 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.58 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 83.9 p . . . . . 0 N--CA 1.461 0.111 0 N-CA-C 115.23 1.566 . . . . 0.0 115.23 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.4 mt -57.74 -46.14 84.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.64 -48.08 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.547 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.58 ' H ' ' HG ' ' A' ' 71' ' ' SER . 85.2 mt -63.94 -42.32 97.36 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.983 0.42 . . . . 1.03 110.875 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.3 t -60.8 -47.74 91.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.806 -0.634 . . . . 1.12 110.155 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -59.03 -46.48 88.11 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.325 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.06 -43.28 95.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.496 -0.32 . . . . 1.01 110.667 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.34 -40.3 95.92 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.89 110.145 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 tp -56.97 -46.5 82.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.404 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.408 ' O ' ' OG1' ' A' ' 83' ' ' THR . 86.7 m-70 -67.52 -47.14 70.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.328 -0.396 . . . . 0.13 110.722 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.32 -46.2 91.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.53 -43.43 98.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.224 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 25.4 p -62.64 -44.85 95.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.073 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.3 m -62.29 -48.22 80.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.424 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -58.13 -47.83 82.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.515 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.56 -44.32 97.24 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.055 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.97 80.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.784 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -58.92 -45.02 91.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.092 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.498 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -60.85 -43.9 97.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.108 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -64.48 -41.93 96.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.095 0.474 . . . . 0.0 109.86 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.14 -41.31 86.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.297 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.9 m -57.26 -45.71 83.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.45 . . . . 0.0 109.902 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.23 -43.73 97.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.549 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 87.4 mt -59.98 -43.66 94.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.445 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 91.2 mt -61.76 -43.32 97.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.518 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.49 -40.11 90.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.61 -41.67 99.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.878 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 63.7 m80 -59.16 -40.5 85.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.63 -39.88 92.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.138 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.72 -37.37 87.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.393 179.802 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.595 0.236 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -65.17 -46.98 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.97 0.414 . . . . 1.94 110.319 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -67.61 -36.75 81.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.198 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.42 -42.51 96.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.376 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.89 -43.59 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.866 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.5 mtp -59.19 -41.62 88.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.535 -0.542 . . . . 1.05 109.535 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -41.33 97.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.62 -43.3 99.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.383 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.99 -44.1 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.952 -0.567 . . . . 1.08 109.729 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.416 HG22 HD11 ' B' ' 13' ' ' ILE . 90.0 mt -63.82 -44.12 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 1.02 109.922 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.68 -45.9 92.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -60.51 -43.29 97.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.116 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.18 -42.38 99.42 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.508 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.6 mm-40 -63.9 -42.65 97.38 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.91 -49.63 77.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.937 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -60.49 -47.02 87.97 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.508 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 77.9 p -54.86 -44.41 73.98 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.29 -42.58 99.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.714 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.18 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.498 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.4 -42.44 91.76 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.642 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.02 92.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.675 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.7 89.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.657 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.35 -45.5 94.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.308 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.94 -41.75 75.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.17 -42.04 97.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.944 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.61 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.695 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.0 -29.56 69.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.035 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.83 -4.29 54.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.297 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.75 14.26 70.61 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -97.87 79.54 2.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.346 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.94 -34.41 78.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.606 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.56 79.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.036 0.446 . . . . 0.0 110.798 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.77 81.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.415 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.4 -47.97 81.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.571 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.32 -42.45 99.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.613 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.11 99.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.752 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.7 mmm -65.25 -40.28 93.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.558 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.453 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 91.7 mtp -62.92 -41.44 99.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.547 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -61.21 -45.15 95.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.93 -41.56 99.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -60.67 -46.37 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.486 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -60.36 -42.7 96.34 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.249 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -60.53 -44.34 96.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.299 0.571 . . . . 0.0 110.636 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.63 98.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.203 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.62 -40.78 92.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.737 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.79 -42.42 97.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.335 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.49 -39.87 92.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.204 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -45.62 76.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.515 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -61.38 -39.25 89.97 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.13 110.292 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -60.5 -44.07 96.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.407 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.59 -43.3 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.09 0.472 . . . . 0.0 109.965 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -59.78 -43.8 94.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.252 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -56.93 -43.64 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 1.03 110.056 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.55 -39.84 94.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.938 0.399 . . . . 0.0 110.554 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.09 -30.76 71.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.4 mt -84.8 -32.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.103 -0.499 . . . . 1.01 110.787 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.879 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.574 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 88.1 p . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 121.046 0.451 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 mt -59.68 -46.12 90.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.638 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.63 -47.47 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.54 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.574 ' H ' ' HG ' ' B' ' 71' ' ' SER . 85.5 mt -64.39 -42.05 96.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.069 0.461 . . . . 1.03 110.991 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 52.8 t -60.89 -47.02 95.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.862 -0.608 . . . . 1.12 110.288 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.596 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.1 t-80 -59.65 -46.64 88.42 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.854 -0.338 . . . . 2.11 110.299 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.88 97.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.828 0.346 . . . . 1.01 110.389 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.53 -40.62 97.36 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.209 -0.451 . . . . 1.89 110.244 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 40.2 tp -56.82 -46.28 81.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.596 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 87.2 m-70 -67.77 -47.08 70.2 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.728 -0.389 . . . . 0.14 110.72 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.34 -46.67 89.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -60.86 -43.93 97.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.257 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 25.1 p -62.27 -45.12 94.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.116 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 71.8 m -61.81 -48.36 80.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -58.09 -47.93 81.71 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.503 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.44 -44.14 97.64 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.082 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.7 81.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.846 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -59.09 -44.92 91.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.187 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.494 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.0 mt-10 -60.91 -43.9 97.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.175 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.47 -41.69 96.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.052 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 76.2 mt -60.29 -41.45 87.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.278 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 68.2 m -57.13 -45.49 83.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.098 0.475 . . . . 0.0 109.868 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.61 -43.63 96.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.548 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.563 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.9 mt -59.88 -43.62 94.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.453 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.5 mt -62.06 -43.0 97.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.51 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.75 -40.33 92.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.52 -41.27 98.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.83 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.5 m80 -59.34 -40.6 86.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.53 -39.9 92.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.063 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.92 -37.18 86.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.207 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.373 179.754 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.457 -0.125 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -65.18 -46.57 80.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 1.94 110.373 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -67.97 -36.61 80.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.288 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.43 -42.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.315 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.97 -43.53 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.991 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mtp -59.27 -41.42 88.84 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.591 -0.522 . . . . 1.05 109.591 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.59 -41.5 97.8 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.85 -43.0 99.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.92 -44.38 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.549 . . . . 1.09 109.78 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.73 -44.31 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.038 -0.528 . . . . 1.02 110.001 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.1 -46.5 90.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.872 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -60.13 -43.34 95.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.225 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.9 99.32 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . 0.498 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -64.37 -42.39 96.19 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.52 77.51 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -60.59 -47.0 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.498 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.8 p -55.03 -44.01 74.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.53 -42.4 98.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.744 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.04 -50.77 72.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.494 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.2 m-85 -59.72 -42.57 93.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.547 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.79 92.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.746 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.77 89.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.578 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.51 -45.31 94.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.398 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -56.0 -41.68 75.25 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.37 -41.81 97.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.907 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.13 93.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.858 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.62 -29.4 70.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.081 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.57 -4.35 53.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.426 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.81 14.34 70.25 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.2 79.4 2.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.8 0.333 . . . . 0.0 110.231 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.57 -34.68 78.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.518 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.92 81.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.982 0.42 . . . . 0.0 110.628 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.46 80.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.395 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.89 80.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.429 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.13 -42.44 99.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.597 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.26 99.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.729 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.3 mmm -65.34 -40.37 93.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.54 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.449 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 91.9 mtp -62.82 -41.42 99.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.36 -45.19 95.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 0.0 110.384 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.95 -41.45 99.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.311 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m -60.76 -46.24 91.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.545 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.45 -42.79 96.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.329 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.7 ttp -60.47 -44.45 95.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.342 0.591 . . . . 0.0 110.54 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.66 97.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.305 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.65 -41.05 96.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.688 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.75 -42.88 98.26 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.305 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -64.9 -40.13 94.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.991 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.8 76.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.396 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.569 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.2 t-80 -61.49 -39.0 89.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.14 110.301 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.53 -44.01 96.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.267 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.57 -43.16 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.105 0.478 . . . . 0.0 109.99 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.414 HE21 HD22 ' C' ' 74' ' ' LEU . 68.1 tp60 -60.05 -43.71 95.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.182 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 94.1 m -57.05 -43.42 81.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.375 -0.375 . . . . 1.03 110.093 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.97 -39.2 93.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.491 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.58 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.728 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.422 HG21 HD12 ' C' ' 59' ' ' ILE . 96.5 mt -85.22 -32.57 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.999 -0.546 . . . . 1.01 110.748 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.583 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 80.0 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.437 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 CA--C 1.519 -0.237 0 CA-C-O 120.591 0.234 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 68.5 t -66.73 -47.97 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 130.109 3.364 . . . . 0.0 110.572 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.414 HD22 HE21 ' C' ' 55' ' ' GLN . 85.7 mt -66.36 -41.64 89.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 1.03 111.004 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.26 -47.7 92.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.883 -0.599 . . . . 1.13 110.242 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.588 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.1 t-80 -59.5 -46.64 88.24 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.876 -0.33 . . . . 1.96 110.241 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.79 96.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.941 0.4 . . . . 1.01 110.458 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.68 -40.51 97.33 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.89 110.249 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 39.2 tp -56.65 -46.49 81.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.498 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.588 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 87.1 m-70 -67.68 -47.16 70.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.13 110.755 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.32 -46.29 90.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.797 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.38 -43.49 98.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.393 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 26.4 p -62.44 -45.19 94.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.147 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 70.1 m -61.93 -48.16 81.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.655 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -58.11 -48.08 81.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.56 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.29 -44.43 97.24 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.097 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.33 -48.01 80.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.918 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -58.86 -45.13 90.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.22 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.35 -44.42 95.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.157 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.2 -41.83 96.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 110.033 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.08 -41.7 87.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.363 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 69.8 m -56.79 -45.67 82.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.025 0.44 . . . . 0.0 109.992 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.47 -43.58 96.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.499 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.574 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.2 mt -59.91 -43.6 94.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.302 0.572 . . . . 0.0 109.523 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.449 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 90.8 mt -61.95 -43.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.523 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.66 -40.41 91.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.23 -41.53 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.919 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.9 m80 -59.23 -40.79 87.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.726 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.35 -39.64 91.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.095 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.04 -37.45 87.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.222 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.31 135.21 50.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 56.12 14.89 1.61 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.579 -179.897 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.516 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 121.856 0.836 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.81 142.99 36.63 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.99 156.33 38.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.974 -1.079 . . . . 0.0 109.5 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.24 28.56 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.33 18.96 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.067 -1.021 . . . . 0.0 108.347 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.81 144.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.7 136.6 37.01 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.096 0.95 . . . . 0.0 110.15 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.95 114.33 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.89 -4.32 19.3 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.901 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.86 85.85 Favored Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 119.706 -1.871 . . . . 0.0 110.594 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.48 -47.68 12.84 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 124.709 3.606 . . . . 0.0 114.178 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.569 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 97.6 m-20 -102.1 27.52 6.56 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 116.04 -2.264 . . . . 0.0 108.783 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.18 -123.96 24.51 Favored Glycine 0 N--CA 1.497 2.761 0 C-N-CA 117.627 -2.225 . . . . 0.0 109.577 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.0 tp -129.97 81.58 2.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.905 -1.35 . . . . 0.0 109.514 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -85.45 174.62 9.38 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.865 -1.534 . . . . 0.0 112.173 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.646 ' HG1' ' H ' ' D' ' 317' ' ' ARG . 69.8 p -26.41 -58.36 0.08 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -176.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.646 ' H ' ' HG1' ' D' ' 316' ' ' THR . 14.1 ttt180 -53.94 -64.72 1.61 Allowed Pre-proline 0 N--CA 1.492 1.633 0 C-N-CA 120.212 -0.595 . . . . 0.0 112.5 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.45 -32.23 60.31 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.156 1.904 . . . . 0.0 111.539 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.81 86.7 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.525 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.68 72.42 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.96 -39.37 93.99 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 117.968 -1.493 . . . . 0.0 109.442 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.537 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.72 -45.31 93.34 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 122.622 1.201 . . . . 0.0 108.702 -177.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.57 -42.27 95.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.238 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.708 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -63.91 -40.25 96.05 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.269 -0.894 . . . . 0.0 109.737 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.463 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.8 -39.72 79.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.387 -0.82 . . . . 0.0 109.564 177.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.0 91.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.659 -1.276 . . . . 0.0 109.448 178.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.28 -16.25 43.64 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.44 86.2 Favored Glycine 0 N--CA 1.479 1.509 0 O-C-N 119.885 -1.759 . . . . 0.0 109.299 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.54 143.32 32.89 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.245 -1.738 . . . . 0.0 109.996 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.59 -30.05 59.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.18 -0.95 . . . . 0.0 112.377 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.52 10.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 119.799 -1.813 . . . . 0.0 112.751 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.27 35.39 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 102.877 -3.008 . . . . 0.0 102.877 171.179 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.7 136.55 60.47 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 O-C-N 121.125 -0.985 . . . . 0.0 109.314 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.8 m -124.94 143.12 51.04 Favored 'General case' 0 C--N 1.284 -2.239 0 CA-C-O 123.102 1.43 . . . . 0.0 110.014 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 86.0 t -108.02 129.91 61.4 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.71 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.408 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.3 m -127.47 119.55 26.36 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.965 -1.084 . . . . 0.0 108.95 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.47 122.57 39.26 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.591 -0.693 . . . . 0.0 109.993 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.76 38.96 24.44 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.868 -1.145 . . . . 0.0 112.778 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 10.97 83.66 Favored Glycine 0 N--CA 1.502 3.092 0 O-C-N 119.859 -1.776 . . . . 0.0 112.552 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.29 54.53 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.82 158.55 33.12 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-O 123.751 1.739 . . . . 0.0 112.399 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.38 31.36 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 112.416 -2.175 . . . . 0.0 108.515 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.644 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.64 135.99 48.79 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 173.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.02 -6.78 47.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.78 -1.2 . . . . 0.0 110.717 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.644 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.47 13.02 31.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.674 -1.266 . . . . 0.0 109.433 -177.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.5 t -133.13 104.12 6.35 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.096 0.951 . . . . 0.0 110.1 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.26 -37.9 73.05 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.941 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -58.83 -51.38 70.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.529 -1.357 . . . . 0.0 113.118 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.44 70.51 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 119.541 -1.975 . . . . 0.0 109.16 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.75 -33.84 75.98 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.927 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.583 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.62 -10.45 52.2 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.64 -0.663 . . . . 0.0 109.937 -177.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.9 p -89.77 -7.65 53.95 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 118.125 -1.43 . . . . 0.0 110.954 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.44 159.3 15.31 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.209 -0.932 . . . . 0.0 110.096 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 106.893 -2.483 . . . . 0.0 106.893 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.5 mt -119.62 47.34 1.73 Allowed 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.7 -1.471 . . . . 0.0 107.413 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.7 p -81.4 172.55 13.41 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.222 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.62 140.89 57.24 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.893 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.22 78.82 Favored Glycine 0 N--CA 1.5 2.922 0 C-N-CA 120.033 -1.079 . . . . 0.0 111.313 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.46 135.93 34.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.909 -1.348 . . . . 0.0 110.572 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.52 123.69 48.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.17 160.12 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 117.364 -1.734 . . . . 0.0 110.632 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.408 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.5 m -108.88 128.39 54.88 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.48 -1.387 . . . . 0.0 107.556 175.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.89 121.37 60.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.57 147.24 50.7 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -179.561 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.18 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.404 -1.318 . . . . 0.0 109.737 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.13 110.79 6.44 Favored 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 118.608 -1.237 . . . . 0.0 108.045 178.187 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.3 40.14 Favored Glycine 0 C--N 1.295 -1.701 0 C-N-CA 117.994 -2.051 . . . . 0.0 110.331 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.41 -40.67 83.09 Favored 'General case' 0 C--N 1.276 -2.6 0 CA-C-N 114.347 -0.926 . . . . 0.0 112.142 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -113.99 36.86 3.5 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 115.87 -2.332 . . . . 0.0 108.646 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.61 65.9 Favored 'General case' 0 N--CA 1.522 3.132 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.429 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.57 27.47 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 119.619 -1.925 . . . . 0.0 110.972 -176.54 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.787 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.5 -40.78 97.98 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.51 77.59 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 117.506 -1.678 . . . . 0.0 109.996 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.79 -42.24 89.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-O 122.206 1.003 . . . . 0.0 109.274 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.9 -47.98 76.46 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-O 122.075 0.94 . . . . 0.0 108.723 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.787 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.73 -38.4 76.85 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.697 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.537 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.54 -28.66 59.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.408 -1.432 . . . . 0.0 110.837 -174.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.49 70.93 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.508 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.2 63.34 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.463 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.27 84.27 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.01 -1.076 . . . . 0.0 110.491 177.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.32 -37.43 85.57 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.901 -1.124 . . . . 0.0 111.487 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.82 -31.83 61.8 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.136 -0.977 . . . . 0.0 110.32 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.35 45.87 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.482 -0.761 . . . . 0.0 111.35 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.06 125.46 12.22 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 124.394 2.045 . . . . 0.0 112.871 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.901 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.8 mt-10 . . . . . 0 C--N 1.278 -2.536 0 CA-C-N 111.084 -2.78 . . . . 0.0 110.186 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.93 -46.13 82.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.908 0.385 . . . . 1.94 110.197 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -67.37 -36.18 80.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.251 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.2 t -63.79 -42.59 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.431 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.44 -44.19 95.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.973 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.88 -42.39 89.36 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.465 -0.568 . . . . 1.04 109.465 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -41.51 98.56 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.89 -43.17 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.226 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.11 -43.98 99.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.022 -0.535 . . . . 1.05 109.77 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.407 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 92.5 mt -64.02 -44.4 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 1.02 109.978 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' A' ' 14' ' ' ASN . 48.6 t-20 -61.16 -46.22 91.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.724 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -60.0 -44.11 94.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.929 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.84 -41.81 99.79 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.536 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 92.7 mm-40 -64.48 -42.58 95.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.4 77.6 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.854 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.53 -46.43 90.2 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.3 m -54.76 -43.85 73.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.08 -42.78 99.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.723 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.57 -50.74 72.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.54 -42.51 92.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.598 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.73 92.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.752 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.34 86.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.663 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.23 -45.27 95.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.434 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.73 -42.11 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.86 -41.87 96.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.795 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.61 92.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.75 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.75 -29.69 69.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.161 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.7 -4.32 55.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.488 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.85 17.16 63.96 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.34 78.85 2.07 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.718 0.294 . . . . 0.0 110.286 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -64.7 -34.36 78.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.34 75.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.132 0.491 . . . . 0.0 110.788 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.83 82.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.302 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.98 -48.47 78.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.46 -43.41 98.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.645 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.34 99.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.814 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.34 -40.35 93.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.492 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.487 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 91.2 mmm -63.93 -40.87 97.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.663 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.25 -44.23 97.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.014 0.435 . . . . 0.0 110.505 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.97 -40.46 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.161 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 t -61.8 -45.75 92.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.509 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.47 -42.56 96.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.345 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.8 ttp -60.57 -44.66 95.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.237 0.542 . . . . 0.0 110.579 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.02 97.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.217 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.29 -40.32 93.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.618 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.38 -42.04 98.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.359 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -65.49 -40.2 92.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.198 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.02 78.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.441 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -61.7 -39.02 89.99 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.019 -0.537 . . . . 0.13 110.373 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.0 mt -60.35 -44.07 95.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.91 -42.73 92.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.997 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.457 ' NE2' ' CB ' ' A' ' 77' ' ' ALA . 11.2 tp-100 -60.86 -43.11 98.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.281 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.3 m -56.88 -42.99 80.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 1.03 110.087 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.89 -40.22 92.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.528 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.69 -39.7 80.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.65 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.58 -40.35 84.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 1.01 110.853 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.501 -179.077 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.575 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 85.8 p . . . . . 0 N--CA 1.461 0.121 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.5 mt -57.89 -45.63 86.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.573 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.55 -48.5 84.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.905 0.383 . . . . 0.0 110.588 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.575 ' H ' ' HG ' ' A' ' 71' ' ' SER . 86.5 mt -63.9 -42.06 97.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.184 -0.462 . . . . 1.03 110.895 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.51 -47.31 91.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.749 -0.66 . . . . 1.12 110.227 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -59.68 -44.99 93.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.848 0.356 . . . . 0.0 110.347 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' CB ' ' NE2' ' A' ' 55' ' ' GLN . . . -64.19 -43.54 94.76 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.427 -0.352 . . . . 1.01 110.67 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -62.48 -39.79 94.6 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.195 -0.457 . . . . 1.89 110.201 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.27 -46.46 79.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.392 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -67.78 -46.01 73.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.668 -0.413 . . . . 0.13 110.71 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.08 -46.57 90.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.823 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.1 mmt -61.57 -43.34 99.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.204 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.8 p -63.57 -46.98 83.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.088 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.8 t -62.54 -48.61 78.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.9 tpp -57.47 -48.54 78.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.533 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.06 -44.37 97.49 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.156 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.47 79.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.847 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -58.43 -46.23 86.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.146 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.497 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.1 mt-10 -60.43 -44.08 96.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.064 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.98 -42.07 97.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.094 0.473 . . . . 0.0 109.83 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.3 mt -60.68 -42.61 92.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.487 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.4 m -57.22 -45.8 83.54 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.63 -0.428 . . . . 0.0 109.901 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.43 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 99.6 mt-10 -63.78 -43.06 97.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.485 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.466 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 79.2 mt -59.76 -43.31 94.38 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.404 HG23 HD13 ' A' ' 95' ' ' ILE . 91.5 mt -60.93 -42.83 94.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.512 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -62.48 -38.39 89.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.7 -42.04 99.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.857 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.6 m80 -60.34 -39.16 86.12 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.19 -39.1 91.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.179 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.61 -39.61 94.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.148 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.363 179.701 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.578 0.228 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.03 -46.04 82.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 1.94 110.379 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -67.21 -36.14 81.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.232 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.83 -42.35 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -60.89 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.878 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mtp -59.01 -42.06 89.24 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.575 -0.528 . . . . 1.05 109.575 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.42 98.12 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.91 -43.05 99.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 110.398 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.2 -43.96 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.958 -0.565 . . . . 1.08 109.695 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.44 HD12 HG22 ' B' ' 13' ' ' ILE . 92.6 mt -64.15 -44.45 97.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.918 -0.583 . . . . 1.02 109.902 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' B' ' 14' ' ' ASN . 48.3 t-20 -61.06 -46.04 92.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.809 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.6 t -60.2 -44.1 95.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.124 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -41.64 99.83 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.33 -43.02 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.2 78.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.922 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.79 -45.89 92.62 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.9 m -55.27 -43.6 74.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.26 -43.01 99.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.677 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.37 -50.98 71.89 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.497 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.2 m-85 -59.37 -42.44 91.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.691 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.18 93.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.737 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.33 85.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.621 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.24 -45.55 94.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.301 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.51 -42.2 74.15 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.72 -41.75 95.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.866 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.68 93.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.685 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.71 -29.75 69.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.059 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.78 -4.04 55.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.42 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.59 17.12 64.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.28 78.77 2.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.815 0.341 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.58 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -49.15 76.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.064 0.459 . . . . 0.0 110.814 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.66 81.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.72 77.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.628 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.1 -43.67 98.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.6 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.41 99.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.21 -40.57 94.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.476 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 91.3 mmm -63.71 -40.84 97.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.587 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.31 -44.49 96.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.477 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.47 -40.41 96.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.29 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 43.8 t -61.96 -45.87 91.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.48 -42.52 96.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.251 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 55.2 ttp -60.48 -44.8 95.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.285 0.564 . . . . 0.0 110.653 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.97 97.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.148 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.51 -40.35 92.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.69 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.43 -41.39 97.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.394 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.95 -40.35 91.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.154 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.06 -45.27 77.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.433 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -61.38 -39.1 89.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.13 110.254 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.49 -44.06 96.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.412 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.62 -43.45 93.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 110.074 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.473 ' NE2' ' CB ' ' B' ' 77' ' ' ALA . 11.3 tp-100 -60.04 -43.75 95.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.3 m -56.37 -43.15 78.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 1.03 109.955 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.14 -39.81 91.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.918 0.389 . . . . 0.0 110.529 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -68.91 -39.5 79.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.697 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.75 -40.36 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.038 -0.528 . . . . 1.01 110.798 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.617 -179.291 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.572 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 99.0 p . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 121.036 0.446 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.27 -45.4 93.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.545 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.6 -47.98 88.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.764 0.316 . . . . 0.0 110.573 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.572 ' H ' ' HG ' ' B' ' 71' ' ' SER . 87.5 mt -64.24 -41.89 96.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.136 0.493 . . . . 1.03 110.984 -178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.41 -47.16 91.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.755 -0.657 . . . . 1.12 110.343 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.635 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.5 t-80 -59.47 -45.91 90.27 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.854 -0.338 . . . . 2.11 110.317 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.473 ' CB ' ' NE2' ' B' ' 55' ' ' GLN . . . -63.38 -43.68 96.91 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.864 0.364 . . . . 1.01 110.409 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.49 -39.98 95.24 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.124 -0.489 . . . . 1.89 110.216 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 46.5 tp -56.2 -46.6 79.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.363 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.635 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 69.5 m-70 -67.62 -45.89 74.07 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.681 -0.408 . . . . 0.14 110.796 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.35 -46.34 90.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 19.4 mmt -61.81 -43.52 98.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.236 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.1 p -63.17 -47.02 84.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.133 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -62.36 -48.95 77.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.673 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.6 tpp -57.05 -48.92 77.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.412 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.83 -44.46 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.118 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.33 80.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.942 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -58.87 -45.76 89.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.275 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.491 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.8 mt-10 -60.67 -43.99 97.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.219 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.95 -42.16 97.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.029 0.442 . . . . 0.0 109.984 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.67 -42.57 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.195 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.476 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 16.2 m -57.11 -46.12 82.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.061 0.458 . . . . 0.0 109.919 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.427 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.4 mt-10 -63.63 -42.45 98.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.49 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.462 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 78.5 mt -60.43 -43.2 97.04 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.09 -42.84 94.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.554 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -62.17 -38.97 91.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.31 -42.12 99.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.834 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.3 m80 -60.24 -39.31 86.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.723 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.16 -39.03 91.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.056 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.7 -39.49 94.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.115 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.383 179.631 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.568 0.223 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.03 -45.95 83.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 1.94 110.424 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -67.43 -35.86 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.95 -42.62 96.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.372 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 84.7 t -60.71 -43.92 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.029 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.1 -42.07 89.63 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.539 -0.541 . . . . 1.05 109.539 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.16 -41.59 98.33 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.72 -42.96 99.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.969 0.414 . . . . 0.0 110.388 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.3 -44.1 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.556 . . . . 1.09 109.707 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.99 -44.26 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 1.02 110.053 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -61.38 -46.24 91.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.719 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -59.79 -44.29 94.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.1 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.83 99.78 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.2 -42.9 96.44 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.28 -49.56 76.69 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.56 -46.16 91.24 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 64.6 m -54.93 -43.89 73.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.97 -42.71 99.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.778 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -50.57 73.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.491 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.62 -42.74 93.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.549 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.94 92.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.732 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.35 86.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.615 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.25 -45.32 95.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.374 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.67 -42.18 74.76 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.74 -41.82 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.966 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.26 92.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.776 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.06 -29.56 69.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.123 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -81.84 -4.29 56.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.469 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 17.3 63.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -100.34 78.65 2.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.782 0.325 . . . . 0.0 110.308 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -64.64 -34.57 78.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -48.76 78.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 0.0 110.646 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.65 81.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.16 79.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.522 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.5 -43.67 98.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.572 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.53 99.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 87.9 mmm -65.28 -40.49 93.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.487 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 91.3 mmm -63.72 -41.05 98.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.33 -44.2 97.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.408 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.71 -40.22 96.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.294 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -62.25 -45.89 91.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.449 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.37 -42.43 95.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.35 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 56.9 ttp -60.61 -44.95 95.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.316 0.579 . . . . 0.0 110.518 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.64 98.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.83 -40.8 95.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.718 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.1 -41.79 97.33 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.367 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.65 -40.22 92.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.078 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.5 76.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.397 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.563 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.4 t60 -61.21 -38.84 88.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.14 110.282 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.82 -43.89 97.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.352 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.6 -43.46 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.031 0.443 . . . . 0.0 109.967 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.476 ' NE2' ' CB ' ' C' ' 77' ' ' ALA . 11.3 tp-100 -60.11 -43.75 95.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.273 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 16.0 m -56.3 -43.15 78.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 1.03 110.197 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.13 -39.76 91.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.504 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.88 -39.46 79.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.822 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.73 -40.2 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 1.01 110.836 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.593 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 79.2 mm-40 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.461 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.641 0.258 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.07 -48.48 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 130.053 3.341 . . . . 0.0 110.645 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.93 -41.72 90.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.072 0.463 . . . . 1.03 111.043 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.94 -47.42 91.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.749 -0.66 . . . . 1.13 110.297 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.623 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.5 t-80 -59.73 -45.77 91.17 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.914 -0.314 . . . . 1.96 110.242 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.476 ' CB ' ' NE2' ' C' ' 55' ' ' GLN . . . -63.64 -43.43 96.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.896 0.379 . . . . 1.01 110.41 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.79 -39.72 95.13 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.251 -0.432 . . . . 1.89 110.311 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 46.3 tp -56.28 -46.51 79.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.499 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.623 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 69.7 m-70 -67.68 -46.06 73.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.399 . . . . 0.13 110.76 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.11 -46.68 89.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.792 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 19.6 mmt -61.47 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.358 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 22.6 p -63.82 -46.61 84.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.152 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.81 -48.79 77.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.6 tpp -56.98 -48.72 77.73 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.694 0.283 . . . . 0.0 110.505 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.11 -44.37 97.44 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.115 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.09 -48.05 81.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.969 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -59.01 -45.77 89.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.23 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.48 -44.25 96.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.168 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.92 -42.13 97.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.189 0.519 . . . . 0.0 110.008 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.65 -42.5 92.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.406 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' THR . . . . . 0.487 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 16.8 m -57.08 -46.14 82.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.47 . . . . 0.0 110.011 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.62 -42.73 98.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.509 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.453 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 79.1 mt -60.07 -43.27 95.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.89 -42.95 94.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.597 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -62.04 -39.14 91.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.135 0.493 . . . . 0.0 109.763 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.11 -42.02 98.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.912 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.5 m80 -60.56 -39.0 86.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.705 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.2 tt0 -62.07 -39.38 92.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.117 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.33 -39.33 94.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.256 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.63 -41.59 96.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.386 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.3 mttt -90.64 140.99 29.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.489 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.502 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.512 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.217 -0.656 0 CA-C-O 121.866 0.841 . . . . 0.0 108.929 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.04 36.63 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.25 38.42 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.104 -0.998 . . . . 0.0 109.498 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.12 28.44 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.29 18.95 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.101 -0.999 . . . . 0.0 108.416 178.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.75 136.65 37.0 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.189 0.995 . . . . 0.0 110.076 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.97 114.33 24.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.89 -4.36 19.26 Favored 'General case' 0 C--N 1.264 -3.128 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.902 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.46 141.8 85.91 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 119.691 -1.881 . . . . 0.0 110.632 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.53 -47.65 12.98 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 124.717 3.612 . . . . 0.0 114.159 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.563 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 97.8 m-20 -102.11 27.46 6.62 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 116.076 -2.25 . . . . 0.0 108.803 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 64.95 -132.28 36.81 Favored Glycine 0 N--CA 1.496 2.683 0 C-N-CA 117.675 -2.202 . . . . 0.0 109.559 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 9.4 tp -119.25 80.77 1.61 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.927 -1.337 . . . . 0.0 109.469 -176.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -86.72 175.41 8.27 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 117.804 -1.559 . . . . 0.0 112.231 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 81.4 p -25.08 -68.49 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 -177.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.536 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 9.4 ttt-85 -47.34 -64.51 1.0 Allowed Pre-proline 0 N--CA 1.494 1.745 0 C-N-CA 120.124 -0.63 . . . . 0.0 112.477 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.39 -32.29 60.82 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 C-N-CA 121.884 1.723 . . . . 0.0 111.519 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.81 86.95 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.275 -0.891 . . . . 0.0 109.527 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.98 -39.7 72.35 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.99 -39.41 94.05 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.019 -1.473 . . . . 0.0 109.443 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.534 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.29 93.44 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.596 1.188 . . . . 0.0 108.684 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.62 -42.36 95.69 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.289 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.642 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.407 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 91.7 mttt -63.86 -40.2 96.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.236 -0.915 . . . . 0.0 109.84 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.467 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.7 80.13 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.46 -0.775 . . . . 0.0 109.595 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.91 92.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.593 -1.317 . . . . 0.0 109.42 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.29 -16.26 43.8 Favored 'General case' 0 N--CA 1.511 2.579 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.61 86.03 Favored Glycine 0 N--CA 1.478 1.445 0 O-C-N 119.909 -1.744 . . . . 0.0 109.355 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.416 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.41 143.29 32.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.3 -1.706 . . . . 0.0 110.037 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.5 p -75.58 -30.08 59.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.272 -0.892 . . . . 0.0 112.348 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.72 158.57 10.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 119.885 -1.759 . . . . 0.0 112.831 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.2 35.31 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 102.805 -3.035 . . . . 0.0 102.805 171.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.59 60.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.386 0 CA-C-O 122.207 1.004 . . . . 0.0 109.28 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.9 m -124.92 143.24 50.97 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-O 123.085 1.422 . . . . 0.0 109.948 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 87.0 t -108.12 129.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.771 0 N-CA-C 105.534 -2.025 . . . . 0.0 105.534 173.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.46 119.59 26.44 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.891 -1.131 . . . . 0.0 108.989 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.52 122.59 39.28 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.56 -0.713 . . . . 0.0 109.914 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.76 38.91 24.3 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.965 -1.085 . . . . 0.0 112.757 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.99 83.54 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 119.959 -1.713 . . . . 0.0 112.516 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.81 136.28 54.53 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.77 158.55 33.03 Favored 'General case' 0 C--N 1.276 -2.63 0 CA-C-O 123.775 1.75 . . . . 0.0 112.468 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.41 31.46 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 112.493 -2.139 . . . . 0.0 108.582 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.633 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.63 135.99 48.81 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.05 -6.76 47.72 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.608 -1.307 . . . . 0.0 110.657 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.633 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.46 12.92 31.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.648 -1.282 . . . . 0.0 109.382 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.8 t -133.07 104.19 6.4 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 122.14 0.971 . . . . 0.0 110.154 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.9 tp -57.3 -37.85 73.08 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.969 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -58.88 -51.33 70.47 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.61 -1.306 . . . . 0.0 113.081 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.41 70.46 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 119.594 -1.942 . . . . 0.0 109.234 -178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.77 -33.74 75.8 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.95 -1.1 . . . . 0.0 109.982 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.593 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.66 -10.47 52.56 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.675 -0.641 . . . . 0.0 109.895 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.9 p -89.81 -7.73 53.69 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 118.077 -1.449 . . . . 0.0 110.919 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.32 159.35 15.3 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.197 -0.939 . . . . 0.0 110.208 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.75 2.96 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.54 47.39 1.72 Allowed 'General case' 0 C--N 1.308 -1.224 0 O-C-N 120.798 -1.413 . . . . 0.0 107.439 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 3.4 p -81.44 172.56 13.38 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.781 -1.168 . . . . 0.0 109.254 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.7 140.92 57.34 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.289 -0.965 . . . . 0.0 109.904 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.25 78.91 Favored Glycine 0 N--CA 1.501 2.98 0 C-N-CA 120.03 -1.081 . . . . 0.0 111.408 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.44 135.86 34.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.93 -1.335 . . . . 0.0 110.634 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.48 123.7 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.17 160.07 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 C-N-CA 117.418 -1.713 . . . . 0.0 110.635 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.87 128.44 54.91 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 120.604 -1.31 . . . . 0.0 107.542 175.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.91 121.38 60.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.18 50.7 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -179.521 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.71 153.47 47.24 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.697 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.8 6.42 Favored 'General case' 0 C--N 1.288 -2.07 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.04 178.163 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.34 40.16 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 118.001 -2.047 . . . . 0.0 110.392 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.43 -40.57 82.91 Favored 'General case' 0 C--N 1.275 -2.661 0 CA-C-N 114.349 -0.926 . . . . 0.0 112.169 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.05 36.79 3.55 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 118.94 -2.35 . . . . 0.0 108.594 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.4 -33.47 65.81 Favored 'General case' 0 N--CA 1.522 3.138 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -174.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.419 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.96 -45.57 27.15 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 119.657 -1.902 . . . . 0.0 110.987 -176.569 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.784 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.84 98.17 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.45 77.82 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 117.435 -1.706 . . . . 0.0 110.061 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.2 t -66.8 -42.2 88.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-O 122.278 1.037 . . . . 0.0 109.347 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.85 -47.96 76.34 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.105 0.955 . . . . 0.0 108.765 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.784 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.8 m-70 -69.75 -38.33 76.76 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.72 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.61 -28.66 58.95 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.457 -1.402 . . . . 0.0 110.899 -174.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.37 -39.51 71.95 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.446 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.26 62.88 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.467 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.24 -45.25 84.12 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.532 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.35 -37.34 85.29 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.884 -1.135 . . . . 0.0 111.532 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -75.0 -31.72 61.47 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.203 -0.936 . . . . 0.0 110.313 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.94 -32.17 45.42 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.529 -0.732 . . . . 0.0 111.39 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.11 125.47 12.31 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 124.305 2.003 . . . . 0.0 112.87 178.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.902 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.1 mm-40 . . . . . 0 C--N 1.276 -2.592 0 CA-C-N 111.214 -2.721 . . . . 0.0 110.136 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.09 -46.72 79.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.894 0.378 . . . . 1.94 110.292 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.51 -35.66 77.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.311 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.36 -41.61 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.18 -44.04 97.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.876 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 86.4 mtp -58.7 -42.35 88.4 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.484 -0.562 . . . . 1.04 109.484 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.04 97.82 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.31 -43.36 98.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.221 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.0 -44.64 99.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 1.05 109.747 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.401 HG22 HD13 ' A' ' 13' ' ' ILE . 87.7 mt -64.1 -44.27 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.529 . . . . 1.02 109.979 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -61.1 -46.79 89.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.766 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.402 ' HG ' ' H ' ' A' ' 16' ' ' GLY . 78.3 p -59.92 -43.39 94.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.018 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.591 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.14 -42.22 99.52 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -64.32 -43.05 95.88 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.05 75.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.822 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.617 HH21 ' HH ' ' A' ' 23' ' ' TYR . 76.3 ttt180 -60.07 -46.74 88.57 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -54.36 -43.96 71.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.52 -42.11 98.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.757 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -50.47 73.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.617 ' HH ' HH21 ' A' ' 19' ' ' ARG . 8.5 m-85 -59.73 -41.56 91.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.651 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.3 92.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.73 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.32 85.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.652 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.8 -45.03 96.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.402 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.48 -42.08 77.68 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -61.62 -44.21 97.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.817 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.02 95.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.765 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.7 -31.36 70.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.145 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -82.19 -3.49 55.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.373 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.25 16.88 68.12 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -99.37 79.26 2.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.748 0.309 . . . . 0.0 110.195 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.63 -33.61 76.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.656 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.59 74.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.003 0.43 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.13 80.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.1 81.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.54 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.84 -42.02 98.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.627 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -44.0 97.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.55 -39.92 92.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.535 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 90.1 mtp -62.1 -42.78 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.606 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.35 -43.98 97.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.438 . . . . 0.0 110.575 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.44 -41.15 98.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.215 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.4 t -61.75 -47.07 86.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.526 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -60.23 -43.31 96.14 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.35 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.21 -43.66 95.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.18 0.514 . . . . 0.0 110.556 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.76 -43.92 94.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.223 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.84 -40.68 95.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.86 -42.94 98.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.284 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.03 -39.77 93.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.164 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.12 74.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.476 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -60.87 -39.35 88.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.13 110.36 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 mt -60.97 -44.08 97.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.357 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.65 -43.12 90.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.962 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -60.25 -44.35 95.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.237 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.1 m -56.8 -42.84 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.03 110.018 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.69 -39.94 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.515 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.63 -30.57 71.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.666 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.4 mt -83.72 -31.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 1.01 110.886 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.44 179.885 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.6 p . . . . . 0 N--CA 1.461 0.114 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.31 -41.4 84.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.563 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.72 -45.55 94.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.86 0.362 . . . . 0.0 110.559 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.53 -41.98 98.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.213 -0.448 . . . . 1.03 110.956 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.86 -47.29 92.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.795 -0.639 . . . . 1.12 110.153 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -58.34 -46.28 86.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.837 0.351 . . . . 0.0 110.344 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.73 -43.04 94.67 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.415 -0.357 . . . . 1.01 110.62 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.93 -41.13 97.6 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.89 110.181 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.1 tp -56.6 -45.57 81.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.368 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -66.87 -46.26 75.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.303 -0.408 . . . . 0.13 110.747 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.36 -45.85 92.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.847 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.65 -43.43 98.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.189 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.8 p -63.59 -45.48 90.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.095 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.85 -49.92 72.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.386 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.14 -48.23 79.21 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.555 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.97 -44.0 97.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.94 0.4 . . . . 0.0 110.089 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.91 -48.78 78.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.797 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -59.06 -45.3 91.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.117 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.597 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 96.2 mt-10 -60.35 -44.72 95.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.076 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.67 -43.1 94.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.163 0.506 . . . . 0.0 109.878 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -60.33 -42.26 90.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.28 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.3 m -57.62 -46.35 84.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.01 0.433 . . . . 0.0 109.841 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.428 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 99.2 mt-10 -64.1 -42.78 96.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.574 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.406 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 69.8 mt -59.27 -43.87 92.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.95 -42.51 93.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.554 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -61.78 -38.78 89.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.786 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.58 -41.88 99.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.907 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 66.7 m80 -61.06 -38.32 85.77 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -63.32 -39.1 93.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.242 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.54 -40.59 97.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.227 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.355 179.745 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 120.619 0.247 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.23 -46.62 79.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 1.94 110.349 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.42 -35.88 78.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.19 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.15 -41.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.305 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -61.07 -43.85 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.854 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 86.2 mtp -58.91 -41.81 88.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.58 -0.526 . . . . 1.05 109.58 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.8 -42.41 97.08 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.01 -43.19 99.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.342 . . . . 0.0 110.342 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.35 -44.58 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 1.08 109.677 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.12 -44.27 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.954 -0.566 . . . . 1.02 109.934 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -61.11 -46.79 89.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.767 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.8 p -59.8 -43.58 94.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.089 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -41.81 99.33 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -64.22 -43.56 94.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.93 75.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.948 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.597 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 76.4 ttt180 -59.95 -46.81 88.2 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -54.34 -43.76 71.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.66 -42.36 98.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.733 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.37 74.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.592 ' HH ' HH21 ' B' ' 19' ' ' ARG . 8.5 m-85 -59.84 -41.32 91.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.716 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.2 93.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.725 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.2 86.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.705 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.97 -45.38 94.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.277 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.06 -42.24 76.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.46 -44.03 97.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.879 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.08 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.69 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.67 -31.52 70.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.023 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.95 -3.79 55.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.4 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.28 16.69 68.53 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.01 79.39 2.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.757 0.313 . . . . 0.0 110.331 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.79 -33.6 76.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.644 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.8 74.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.09 79.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.49 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.18 81.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.81 -42.29 98.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.529 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.32 97.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.682 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.7 mtt -65.16 -40.45 94.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 90.5 mtp -61.48 -42.94 99.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.635 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.18 -44.0 98.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.48 -41.34 98.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -61.54 -47.31 86.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.455 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.18 -43.27 95.98 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.23 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.15 -43.61 95.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.335 0.588 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.58 95.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.146 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.1 -40.61 94.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.693 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.95 -42.75 98.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.286 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.35 -39.8 92.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.104 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.37 74.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.467 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.63 -39.68 89.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.13 110.25 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -60.77 -44.33 96.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.318 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.46 -43.34 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.019 0.438 . . . . 0.0 109.949 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -59.81 -44.66 93.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.245 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.7 m -56.73 -43.04 80.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 1.03 109.988 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.61 -39.87 95.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.86 0.362 . . . . 0.0 110.518 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.46 -30.6 71.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.677 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.405 HG22 HD11 ' B' ' 59' ' ' ILE . 96.5 mt -83.77 -31.69 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.028 -0.533 . . . . 1.01 110.813 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.533 179.783 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.5 p . . . . . 0 N--CA 1.461 0.083 0 CA-C-O 121.049 0.452 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.04 -41.73 92.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.587 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.08 -45.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.607 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.68 -41.28 98.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.145 0.498 . . . . 1.03 110.981 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.36 -47.09 93.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.755 -0.657 . . . . 1.12 110.284 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.46 ' CE1' ' CD2' ' B' ' 80' ' ' HIS . 58.9 t-80 -58.94 -45.98 89.12 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.819 -0.352 . . . . 2.11 110.293 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.38 95.12 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.937 0.398 . . . . 1.01 110.434 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -62.84 -40.68 98.18 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.09 -0.505 . . . . 1.89 110.228 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -56.95 -45.28 82.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.407 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.46 ' CD2' ' CE1' ' B' ' 76' ' ' HIS . 71.9 m-70 -67.34 -45.97 74.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.39 -0.368 . . . . 0.14 110.671 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.9 mt -61.59 -46.12 91.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.829 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.28 -43.39 98.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.243 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.1 p -63.62 -45.66 89.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.159 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -62.54 -49.92 73.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -57.08 -48.61 78.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.473 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.42 -44.27 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.161 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.77 -48.6 79.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.885 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -59.04 -45.34 90.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.23 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.594 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.7 mt-10 -60.59 -44.65 96.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.127 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.56 -42.97 95.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.498 . . . . 0.0 110.042 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.1 mt -60.55 -42.56 91.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.187 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 5.8 m -57.4 -45.89 84.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.016 0.436 . . . . 0.0 109.845 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.422 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.5 mt-10 -64.27 -42.99 96.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.526 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.429 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 68.8 mt -59.36 -43.64 92.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.2 mt -61.14 -42.1 91.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.542 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.99 -39.2 91.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.47 -41.51 98.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.884 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -61.38 -38.45 87.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.79 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -63.18 -39.34 94.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.032 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.44 -40.62 97.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 179.725 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.608 0.242 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.33 -46.59 79.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 1.94 110.349 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.39 -36.03 78.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.344 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 89.8 t -63.75 -42.03 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 81.9 t -61.07 -43.66 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.971 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 86.8 mtp -59.34 -41.76 89.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.567 -0.531 . . . . 1.05 109.567 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.77 -42.16 97.26 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.1 -43.29 98.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.318 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.27 -44.58 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 1.09 109.706 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.9 -44.47 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.006 -0.543 . . . . 1.02 110.081 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.88 -47.48 86.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.778 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' SER . . . . . 0.418 ' HG ' ' H ' ' C' ' 16' ' ' GLY . 79.3 p -59.0 -43.88 91.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.169 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . 0.418 ' H ' ' HG ' ' C' ' 15' ' ' SER . . . -63.0 -42.3 99.7 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.86 -43.63 95.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.37 -50.17 74.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.732 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.618 HH21 ' HH ' ' C' ' 23' ' ' TYR . 76.6 ttt180 -60.19 -46.42 89.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.7 m -54.74 -43.66 72.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.51 -42.56 98.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.721 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.77 -50.28 74.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.618 ' HH ' HH21 ' C' ' 19' ' ' ARG . 8.4 m-85 -60.09 -41.34 92.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.513 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.11 93.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.697 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.73 86.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.595 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.42 -44.97 96.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.67 -41.96 78.19 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.63 -43.93 97.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.157 0.504 . . . . 0.0 109.931 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.06 95.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.806 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.92 -31.41 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.108 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.79 -3.73 54.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.436 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . 0.402 ' HA2' ' HZ1' ' C' ' 102' ' ' LYS . . . 83.16 17.21 67.54 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.83 79.11 2.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.774 0.321 . . . . 0.0 110.258 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.49 -33.93 77.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.486 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.81 74.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.617 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.29 80.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.23 81.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.473 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.65 -42.55 99.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.641 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.9 98.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.58 -40.25 92.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.614 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 90.3 mtp -61.78 -42.71 99.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.703 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.54 -43.63 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.453 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.79 -41.11 97.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.328 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -61.87 -47.1 86.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.455 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.32 -42.98 96.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.332 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 66.0 ttp -60.5 -43.67 96.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.301 0.572 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.6 96.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.392 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.22 -40.62 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.11 -42.32 98.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.306 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.27 -40.24 93.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.982 0.42 . . . . 0.0 110.031 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.41 74.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.438 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.43 -39.67 88.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.14 110.325 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.98 -44.28 97.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.26 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.13 -43.36 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.025 0.441 . . . . 0.0 109.951 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -59.98 -44.77 94.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.276 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.5 m -56.49 -42.94 79.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 1.03 110.141 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.85 -39.75 95.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.509 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.45 -30.71 71.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.71 -31.65 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 1.01 110.76 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.541 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.418 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.671 0.272 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.19 -45.6 95.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 130.115 3.366 . . . . 0.0 110.608 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.8 -41.1 92.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 1.03 110.966 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.47 -47.71 91.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.803 -0.635 . . . . 1.13 110.235 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.466 ' CE1' ' CD2' ' C' ' 80' ' ' HIS . 58.9 t-80 -58.78 -46.02 88.49 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.901 -0.32 . . . . 1.96 110.34 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.49 94.89 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.843 0.354 . . . . 1.01 110.377 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -62.77 -40.51 97.5 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.211 -0.45 . . . . 1.89 110.241 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 45.1 tp -57.04 -45.5 83.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.481 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.466 ' CD2' ' CE1' ' C' ' 76' ' ' HIS . 72.1 m-70 -67.37 -45.7 75.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.334 -0.394 . . . . 0.13 110.732 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.8 -46.01 91.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.844 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.34 -43.18 99.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.383 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.4 p -63.9 -45.61 88.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.143 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 77.3 p -62.68 -49.73 73.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.618 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.04 -48.58 78.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.521 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.2 tp -61.68 -44.06 97.66 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.132 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.6 79.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -58.95 -45.52 90.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.2 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.29 -44.8 95.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.104 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.65 -42.86 95.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.191 0.52 . . . . 0.0 110.02 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -60.69 -42.51 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.365 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -57.32 -45.81 83.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.041 0.448 . . . . 0.0 109.976 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.44 -42.88 95.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.488 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.422 ' CD1' ' OE1' ' B' ' 93' ' ' GLU . 70.0 mt -59.26 -43.91 92.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.413 HD12 HG21 ' C' ' 95' ' ' ILE . 89.9 mt -60.79 -42.36 92.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.638 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -61.64 -39.39 91.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.737 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.24 -41.76 98.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.864 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -61.13 -38.54 86.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.737 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.4 tm-20 -63.07 -39.28 94.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.149 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.45 -40.67 97.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.199 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.6 -41.98 95.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.335 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' C' ' 99' ' ' GLU . 54.7 mtpt -89.2 141.61 28.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.47 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . 0.436 ' OXT' ' O ' ' C' ' 102' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.585 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.866 0.841 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.76 143.02 36.74 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.33 38.63 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.042 -1.036 . . . . 0.0 109.513 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.14 149.23 28.55 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.28 19.02 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.04 -1.037 . . . . 0.0 108.408 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.71 144.43 19.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.74 136.49 37.2 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.116 0.96 . . . . 0.0 110.18 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.4 mt -84.83 114.28 24.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.86 -4.32 19.36 Favored 'General case' 0 C--N 1.265 -3.078 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.893 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.48 141.84 85.9 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 119.717 -1.864 . . . . 0.0 110.616 178.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.53 -47.7 12.91 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 124.753 3.636 . . . . 0.0 114.124 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -102.1 27.6 6.5 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 116.085 -2.246 . . . . 0.0 108.836 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.91 -124.53 23.73 Favored Glycine 0 N--CA 1.497 2.755 0 C-N-CA 117.605 -2.236 . . . . 0.0 109.627 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 78.08 1.81 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.938 -1.331 . . . . 0.0 109.519 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.405 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.4 OUTLIER -84.78 176.58 8.43 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.831 -1.548 . . . . 0.0 112.151 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 7.5 p -22.48 -69.24 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 117.308 2.336 . . . . 0.0 117.308 -176.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.591 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 10.4 ttt-85 -46.37 -65.96 0.6 Allowed Pre-proline 0 N--CA 1.493 1.694 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.498 -177.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.8 Cg_endo -64.35 -32.13 61.51 Favored 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.464 1.443 . . . . 0.0 111.519 177.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.03 87.22 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.221 -0.924 . . . . 0.0 109.469 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.88 -39.65 72.72 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -64.04 -39.37 93.94 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.463 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.73 -45.34 93.2 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.561 1.172 . . . . 0.0 108.675 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 64.5 t -62.53 -42.28 95.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.255 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.768 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -63.82 -40.33 96.36 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.225 -0.922 . . . . 0.0 109.778 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.468 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.75 -39.72 80.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.485 -0.759 . . . . 0.0 109.595 177.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.95 91.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.525 -1.359 . . . . 0.0 109.425 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.44 -16.15 44.1 Favored 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.96 -10.48 86.19 Favored Glycine 0 N--CA 1.478 1.5 0 O-C-N 119.913 -1.742 . . . . 0.0 109.319 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.416 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.48 143.29 32.91 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.233 -1.745 . . . . 0.0 110.013 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.2 p -75.56 -30.03 59.56 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.233 -0.917 . . . . 0.0 112.377 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.76 158.52 10.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 119.857 -1.777 . . . . 0.0 112.828 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.28 35.46 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 102.877 -3.009 . . . . 0.0 102.877 171.194 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.72 136.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.441 0 CA-C-O 122.178 0.99 . . . . 0.0 109.289 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.415 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -125.02 143.14 51.06 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-O 123.142 1.449 . . . . 0.0 110.002 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.415 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.05 129.89 61.48 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.724 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 173.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 336' ' ' THR . . . . . . . . . . . . . 69.2 m -127.47 119.51 26.27 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.887 -1.133 . . . . 0.0 108.888 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.53 122.62 39.33 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.563 -0.711 . . . . 0.0 109.887 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.93 24.34 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.962 -1.086 . . . . 0.0 112.78 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 10.96 83.59 Favored Glycine 0 N--CA 1.501 3.019 0 O-C-N 119.957 -1.714 . . . . 0.0 112.565 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.87 136.27 54.56 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.71 158.6 32.83 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-O 123.801 1.762 . . . . 0.0 112.432 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.38 31.3 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 112.451 -2.159 . . . . 0.0 108.582 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.632 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.62 136.01 48.84 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 173.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.0 -6.77 47.68 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.732 -1.23 . . . . 0.0 110.703 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.632 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.49 12.89 31.79 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.669 -1.27 . . . . 0.0 109.358 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.0 t -133.05 104.13 6.38 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 122.15 0.976 . . . . 0.0 110.135 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.17 -37.87 72.77 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.002 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -58.93 -51.32 70.56 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.577 -1.327 . . . . 0.0 113.042 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.44 70.52 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 119.516 -1.99 . . . . 0.0 109.218 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.78 -33.78 75.89 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 118.998 -1.081 . . . . 0.0 109.918 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.541 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.66 -10.44 52.29 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.601 -0.687 . . . . 0.0 109.888 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 42.7 p -89.78 -7.74 53.73 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 118.099 -1.441 . . . . 0.0 110.95 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.29 159.25 15.35 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.195 -0.941 . . . . 0.0 110.212 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.86 2.96 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.59 47.41 1.72 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.631 -1.511 . . . . 0.0 107.43 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 4.2 p -81.38 172.5 13.48 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.822 -1.151 . . . . 0.0 109.251 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.7 140.91 57.33 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.922 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.17 78.89 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 119.941 -1.123 . . . . 0.0 111.332 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.51 135.89 34.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.87 -1.37 . . . . 0.0 110.633 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.48 123.73 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.14 160.1 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.39 -1.724 . . . . 0.0 110.687 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.8 m -108.95 128.32 54.83 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.512 -1.367 . . . . 0.0 107.591 175.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.7 mt -107.81 121.38 60.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 176.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.403 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.31 50.7 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.47 -1.292 . . . . 0.0 109.714 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.81 6.42 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 118.513 -1.275 . . . . 0.0 108.041 178.115 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.29 40.16 Favored Glycine 0 C--N 1.296 -1.694 0 C-N-CA 118.024 -2.036 . . . . 0.0 110.411 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.38 -40.64 82.85 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 114.439 -0.881 . . . . 0.0 112.205 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.05 36.82 3.53 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 115.875 -2.33 . . . . 0.0 108.53 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.35 -33.61 65.82 Favored 'General case' 0 N--CA 1.52 3.074 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -45.68 27.55 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.633 -1.917 . . . . 0.0 111.0 -176.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.775 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.76 97.95 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.5 77.65 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 117.415 -1.714 . . . . 0.0 110.079 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.75 -42.3 89.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 122.24 1.019 . . . . 0.0 109.317 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.85 -47.86 76.54 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-O 122.048 0.928 . . . . 0.0 108.814 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.775 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.81 -38.36 76.56 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.699 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.53 -28.67 59.17 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.352 -1.468 . . . . 0.0 110.885 -174.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.83 -49.23 63.32 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.468 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.36 -45.2 84.63 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.513 177.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.32 85.27 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.96 -1.088 . . . . 0.0 111.518 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.88 61.67 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.144 -0.972 . . . . 0.0 110.279 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.84 -32.38 46.1 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 111.325 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.03 125.52 12.31 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 124.251 1.977 . . . . 0.0 112.922 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.893 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.6 mm-40 . . . . . 0 C--N 1.277 -2.557 0 CA-C-N 111.096 -2.775 . . . . 0.0 110.082 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.26 -45.94 82.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.941 0.4 . . . . 1.94 110.257 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -68.76 -36.78 78.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.64 -42.86 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.38 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.1 t -60.84 -43.82 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.924 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.5 mtp -59.47 -42.18 91.44 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.523 -0.547 . . . . 1.04 109.523 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.62 -42.08 98.88 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.276 -1.129 . . . . 0.0 110.276 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.2 mt -62.88 -42.54 99.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.824 0.345 . . . . 0.0 110.23 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.4 -43.89 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.944 -0.571 . . . . 1.05 109.759 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.405 HD11 ' NZ ' ' D' ' 324' ' ' LYS . 90.0 mt -63.68 -44.6 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 1.02 109.973 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.05 -45.78 92.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.747 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.0 t -61.52 -44.2 97.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.969 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.69 -44.32 96.54 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.498 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.0 mm-40 -62.9 -45.55 92.0 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.29 82.16 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.578 ' NH2' ' OG1' ' A' ' 83' ' ' THR . 43.4 ttm180 -60.14 -47.21 86.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.546 ' HG ' ' N ' ' A' ' 21' ' ' LEU . 78.0 p -56.43 -42.98 78.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.546 ' N ' ' HG ' ' A' ' 20' ' ' SER . 68.2 mt -62.72 -41.95 99.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.718 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.75 77.79 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -60.78 -40.44 92.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.581 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.12 94.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.786 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.76 91.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.702 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.86 -45.01 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.453 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -55.55 -42.14 74.21 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.41 -41.21 96.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.755 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.56 95.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.695 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.55 -29.09 69.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.168 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -80.81 -4.54 55.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.456 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 15.39 68.1 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -99.59 79.36 2.25 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.771 0.319 . . . . 0.0 110.333 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.72 -34.3 78.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.661 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.37 79.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 110.73 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.87 82.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.72 82.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.594 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.48 -43.43 98.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.74 98.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.33 -42.41 92.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.503 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 74.4 mtm -64.1 -40.22 95.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.635 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.08 -46.41 89.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.006 0.431 . . . . 0.0 110.593 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.02 -41.65 97.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.208 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 m -60.88 -45.6 93.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -60.35 -42.38 95.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.292 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.44 -41.55 97.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.227 0.537 . . . . 0.0 110.567 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.67 97.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.185 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.59 -39.54 91.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.62 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 51.3 t-20 -59.81 -42.92 94.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.286 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.82 -39.66 91.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.23 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.01 -45.79 80.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.49 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -61.64 -38.08 86.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.026 -0.534 . . . . 0.13 110.361 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.26 -43.54 96.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.0 -43.1 96.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 110.064 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -60.15 -44.11 95.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.24 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.4 m -57.03 -42.66 80.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 1.03 110.056 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.24 -39.49 86.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.482 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.4 -39.37 77.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.645 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.55 -39.93 83.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 1.01 110.843 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.503 -179.305 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.86 -42.29 79.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.668 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.35 -45.39 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.856 0.36 . . . . 0.0 110.515 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.06 -41.02 97.7 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.014 0.435 . . . . 1.03 110.892 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -59.97 -47.53 91.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.807 -0.633 . . . . 1.12 110.218 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.78 -46.12 88.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.819 0.342 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.21 99.35 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.814 0.34 . . . . 1.01 110.714 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.64 -38.49 90.47 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.112 -0.495 . . . . 1.89 110.125 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.0 tp -56.89 -47.13 81.2 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.361 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 83' ' ' THR . 52.2 m80 -68.3 -46.39 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.738 -0.385 . . . . 0.13 110.768 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.57 -46.41 90.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.844 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.33 -43.54 98.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.187 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.578 ' OG1' ' NH2' ' A' ' 19' ' ' ARG . 23.7 p -62.11 -45.05 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.15 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -61.8 -49.07 77.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 54.2 ttp -57.42 -47.42 81.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.546 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.16 -44.92 96.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.922 0.392 . . . . 0.0 110.163 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.14 86.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.837 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -57.66 -46.72 83.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.105 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.518 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 98.3 mt-10 -61.57 -43.08 99.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.061 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.46 -42.84 91.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.127 0.489 . . . . 0.0 109.821 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.04 -42.34 92.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.349 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.5 m -58.47 -45.23 89.03 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.417 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 99.5 mt-10 -64.11 -43.43 95.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.594 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.53 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 76.5 mt -59.13 -43.75 92.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 87.0 mt -60.88 -42.95 94.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.514 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -60.7 -40.21 91.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.49 -41.82 99.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.884 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.9 m80 -59.57 -40.19 86.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.98 -40.42 93.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.185 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.59 -34.49 78.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.201 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.373 179.621 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.593 0.235 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.61 -45.65 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 1.94 110.359 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -68.61 -37.0 79.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.24 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.59 -42.85 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.406 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.78 -43.9 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.89 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.53 -42.04 91.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.586 -0.524 . . . . 1.05 109.586 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.06 98.71 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.69 -42.66 99.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 110.309 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.37 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.545 . . . . 1.08 109.704 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.51 -44.74 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.537 . . . . 1.02 109.912 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.1 -45.73 92.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.834 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -61.55 -43.97 97.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.125 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.09 96.56 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.483 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.1 mm-40 -63.13 -45.06 93.74 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.14 82.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.952 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.571 ' NH2' ' OG1' ' B' ' 83' ' ' THR . 43.6 ttm180 -60.25 -46.88 88.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.538 ' HG ' ' N ' ' B' ' 21' ' ' LEU . 78.1 p -57.04 -42.89 81.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.538 ' N ' ' HG ' ' B' ' 20' ' ' SER . 68.9 mt -62.66 -41.96 99.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.755 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.29 -48.67 78.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.518 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.7 m-85 -60.79 -40.46 92.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.717 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.05 93.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.753 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.12 91.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.602 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.55 -44.99 96.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.295 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -55.77 -42.14 75.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.21 -41.2 96.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.863 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.84 96.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.733 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.26 -29.2 69.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.026 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -80.95 -4.52 55.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.7 15.6 67.72 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -99.74 79.05 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.812 0.339 . . . . 0.0 110.374 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -64.62 -34.09 77.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.593 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.66 78.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.56 81.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.384 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.98 -47.5 82.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.59 -43.51 98.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 0.0 110.558 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.9 98.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.38 -42.37 92.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.465 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 74.3 mtm -63.96 -40.69 97.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.505 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.91 -46.34 89.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.51 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -63.83 -41.64 97.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.315 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -61.2 -45.35 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.474 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -60.39 -42.37 95.74 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.233 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 59.7 mtt -61.56 -41.45 97.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.278 0.561 . . . . 0.0 110.691 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.13 97.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.114 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.34 -39.4 92.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.739 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -60.1 -42.97 95.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.342 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.58 -39.85 92.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.175 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.8 -46.1 79.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.498 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -61.34 -38.08 85.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.13 110.306 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.32 -43.47 96.34 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.32 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.92 -43.41 96.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.063 0.459 . . . . 0.0 109.976 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -59.94 -44.18 94.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.225 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 11.7 m -56.9 -43.21 81.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 1.03 109.981 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.9 -39.59 85.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.87 0.367 . . . . 0.0 110.532 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.42 -39.13 78.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.668 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.0 mt -67.66 -39.75 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.09 -0.505 . . . . 1.01 110.742 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.461 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 95.2 p . . . . . 0 CA--C 1.524 -0.037 0 CA-C-O 121.05 0.452 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.39 -41.96 90.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.571 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 65.7 t -62.71 -44.7 99.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.585 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.38 -41.12 98.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 1.03 110.959 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.87 -46.52 93.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.768 -0.651 . . . . 1.12 110.285 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -59.57 -46.06 90.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.91 -0.316 . . . . 2.11 110.325 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.07 99.77 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.911 0.386 . . . . 1.01 110.439 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.42 -38.64 90.46 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.141 -0.481 . . . . 1.89 110.259 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 36.1 tp -56.83 -47.37 80.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.405 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.448 ' O ' ' OG1' ' B' ' 83' ' ' THR . 51.6 m80 -68.03 -46.35 71.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.14 110.733 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.407 ' O ' ' OG ' ' B' ' 84' ' ' SER . 84.6 mt -60.71 -46.35 90.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.772 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.34 -43.56 98.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.186 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.571 ' OG1' ' NH2' ' B' ' 19' ' ' ARG . 22.7 p -62.07 -44.86 95.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.155 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' B' ' 81' ' ' LEU . 78.2 p -61.79 -49.1 77.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.574 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 55.0 ttp -57.6 -47.18 82.85 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.453 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.39 -45.06 95.95 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.106 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.22 85.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.871 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.77 -46.56 84.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.322 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.52 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 98.6 mt-10 -61.36 -43.24 99.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.133 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.49 -43.01 91.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.113 0.483 . . . . 0.0 109.968 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . 0.426 HD13 HG23 ' B' ' 91' ' ' ILE . 75.6 mt -60.81 -42.54 92.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.172 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 76.5 m -58.41 -45.27 88.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.084 0.469 . . . . 0.0 109.918 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.412 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.0 mt-10 -64.04 -43.54 95.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.475 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.4 mt -58.96 -43.63 91.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.465 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 86.0 mt -61.12 -42.61 93.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.516 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -60.98 -40.19 92.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.723 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.66 -42.0 99.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.833 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.8 m80 -59.17 -40.29 85.15 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.05 -40.38 93.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.124 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.53 -34.4 78.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.192 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 53.9 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.317 179.671 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.576 0.227 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.34 -45.84 82.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 1.94 110.429 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -68.45 -37.02 79.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.375 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.57 -43.03 98.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.379 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.66 -43.81 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.031 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.52 -42.29 91.91 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.558 -0.534 . . . . 1.05 109.558 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.5 -42.31 98.98 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.49 -42.44 99.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 110.417 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.52 -43.96 98.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 1.09 109.677 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.424 HD11 HG21 ' C' ' 13' ' ' ILE . 92.5 mt -63.56 -44.75 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.509 . . . . 1.02 110.083 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.0 -45.68 92.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.783 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -61.49 -44.41 97.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.171 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.61 -44.09 97.0 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . 0.491 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -62.97 -45.47 92.29 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.28 -48.53 81.28 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.571 ' NH2' ' OG1' ' C' ' 83' ' ' THR . 43.7 ttm180 -59.86 -46.98 87.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.538 ' HG ' ' N ' ' C' ' 21' ' ' LEU . 78.3 p -57.1 -42.7 81.28 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.538 ' N ' ' HG ' ' C' ' 20' ' ' SER . 69.0 mt -62.75 -41.89 99.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.708 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -48.69 78.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.433 0.635 . . . . 0.0 109.327 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.52 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -60.87 -40.13 91.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.558 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.89 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.715 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.14 91.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.584 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.56 -44.83 96.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.41 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -55.96 -41.59 74.94 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.87 -40.57 95.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.895 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.41 97.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.785 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.95 -28.99 69.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.049 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -80.6 -4.9 55.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.94 15.38 67.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -99.54 79.11 2.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.776 0.322 . . . . 0.0 110.267 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.61 -33.97 77.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.54 78.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.081 0.467 . . . . 0.0 110.7 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.07 79.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.384 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.47 81.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.452 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.64 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.567 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.31 99.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.04 -42.14 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.524 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 74.4 mtm -64.2 -40.17 95.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.591 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.4 -46.57 88.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.431 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.78 -41.49 97.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.326 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -61.01 -45.57 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.547 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -60.34 -42.54 95.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.349 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.27 -41.63 97.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.34 0.59 . . . . 0.0 110.527 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.81 98.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.278 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.65 -39.66 91.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.665 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -59.98 -42.82 95.03 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.413 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.48 -39.96 92.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.013 0.435 . . . . 0.0 110.057 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.96 80.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.423 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.577 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 62.7 t-80 -61.53 -37.84 85.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.536 . . . . 0.14 110.346 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.54 -43.12 97.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.291 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.09 -43.17 95.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.06 0.457 . . . . 0.0 110.023 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -60.41 -44.12 96.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.249 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 10.8 m -57.0 -42.92 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 1.03 110.12 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.78 -39.83 86.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.507 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.1 -39.42 79.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.35 -39.83 83.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 1.01 110.849 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.533 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 tp . . . . . 0 CA--C 1.519 -0.237 0 CA-C-O 120.639 0.257 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 63.6 t -62.88 -45.05 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 130.194 3.397 . . . . 0.0 110.584 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.42 -40.9 96.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.115 0.483 . . . . 1.03 111.051 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 44.5 t -59.99 -47.54 91.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.732 -0.667 . . . . 1.13 110.175 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -59.24 -46.27 88.93 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.871 -0.332 . . . . 1.96 110.307 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.51 98.64 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.935 0.398 . . . . 1.01 110.421 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.04 -38.71 89.74 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.269 -0.423 . . . . 1.89 110.24 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 36.2 tp -56.68 -47.39 79.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.429 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.448 ' O ' ' OG1' ' C' ' 83' ' ' THR . 51.5 m80 -68.13 -46.33 71.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.312 -0.404 . . . . 0.13 110.748 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.64 -46.43 90.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.16 -43.23 99.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.448 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.571 ' OG1' ' NH2' ' C' ' 19' ' ' ARG . 23.1 p -62.5 -45.02 94.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.173 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -61.64 -49.01 78.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 54.6 ttp -57.39 -47.47 81.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.53 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.23 -45.04 96.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.003 0.43 . . . . 0.0 110.208 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.23 85.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.979 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.9 -46.7 84.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.246 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.0 -43.39 98.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.959 0.409 . . . . 0.0 110.178 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.42 -43.01 91.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.196 0.522 . . . . 0.0 109.957 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.76 -42.68 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.342 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 77.7 m -58.29 -44.95 88.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.114 0.483 . . . . 0.0 109.975 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.41 -43.33 94.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.537 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 75.5 mt -59.14 -43.58 92.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 86.3 mt -60.9 -42.82 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.624 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -60.68 -40.18 91.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.743 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.7 -41.97 99.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.871 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.6 m80 -59.4 -40.34 86.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.728 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.89 -40.41 92.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.161 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.44 -34.43 78.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.28 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 mt -81.68 -3.69 54.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.341 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 56.85 22.84 7.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.448 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.519 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.947 0.879 . . . . 0.0 108.891 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.5 t80 -139.82 143.0 36.61 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.4 38.8 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.012 -1.055 . . . . 0.0 109.534 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.22 149.2 28.47 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.23 152.35 18.93 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.04 -1.037 . . . . 0.0 108.389 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.43 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.77 136.62 37.06 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.19 0.995 . . . . 0.0 110.108 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.87 114.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.93 -4.15 19.42 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.902 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.58 141.81 85.63 Favored Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 119.684 -1.885 . . . . 0.0 110.62 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.5 -47.62 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 124.733 3.622 . . . . 0.0 114.145 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.577 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 89.3 m-20 -102.26 27.64 6.55 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 116.062 -2.255 . . . . 0.0 108.734 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 70.11 -115.69 6.27 Favored Glycine 0 N--CA 1.496 2.699 0 C-N-CA 117.617 -2.23 . . . . 0.0 109.569 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 4.5 tp -138.2 58.63 1.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.937 -1.331 . . . . 0.0 109.517 -176.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -60.09 172.63 0.76 Allowed 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 117.864 -1.535 . . . . 0.0 112.158 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 32.0 p -30.13 -68.34 0.08 Allowed 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -176.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -39.07 -65.38 0.4 Allowed Pre-proline 0 N--CA 1.493 1.687 0 C-N-CA 120.077 -0.649 . . . . 0.0 112.547 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.94 -32.17 55.0 Favored 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 121.643 1.562 . . . . 0.0 111.468 175.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.83 86.66 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.462 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.97 -39.71 72.35 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.92 -39.41 94.1 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.443 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.539 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.72 -45.28 93.49 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 122.554 1.169 . . . . 0.0 108.677 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.71 -42.23 95.36 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.684 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.405 ' NZ ' HD11 ' A' ' 13' ' ' ILE . 94.9 mttt -63.84 -40.25 96.15 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.212 -0.93 . . . . 0.0 109.774 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.81 -39.74 79.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.368 -0.832 . . . . 0.0 109.567 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.03 91.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.682 -1.261 . . . . 0.0 109.418 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.24 -16.28 43.53 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.88 -10.63 86.04 Favored Glycine 0 N--CA 1.479 1.542 0 O-C-N 119.92 -1.737 . . . . 0.0 109.307 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.45 143.29 32.91 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.249 -1.736 . . . . 0.0 110.016 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.3 p -75.57 -30.03 59.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.264 -0.897 . . . . 0.0 112.363 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.77 158.56 10.17 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 119.752 -1.843 . . . . 0.0 112.806 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.99 130.21 35.29 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 102.869 -3.012 . . . . 0.0 102.869 171.256 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.68 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.436 0 CA-C-O 122.219 1.009 . . . . 0.0 109.285 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.9 m -124.96 143.15 51.03 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 123.104 1.431 . . . . 0.0 109.994 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 86.9 t -108.03 129.95 61.35 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.765 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 173.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.47 119.6 26.47 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.893 -1.129 . . . . 0.0 108.946 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.63 122.56 39.11 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.592 -0.693 . . . . 0.0 109.863 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.68 39.04 24.37 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.877 -1.139 . . . . 0.0 112.786 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.65 11.0 83.57 Favored Glycine 0 N--CA 1.503 3.128 0 O-C-N 119.972 -1.705 . . . . 0.0 112.515 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.3 54.54 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.81 158.53 33.16 Favored 'General case' 0 C--N 1.275 -2.64 0 CA-C-O 123.849 1.785 . . . . 0.0 112.403 -175.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.3 31.26 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-N 112.461 -2.154 . . . . 0.0 108.651 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.639 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.54 135.98 48.96 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 173.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.96 -6.85 48.05 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.68 -1.263 . . . . 0.0 110.72 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.639 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.4 12.93 31.48 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.684 -1.26 . . . . 0.0 109.372 -177.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.5 t -133.07 104.1 6.35 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 122.163 0.982 . . . . 0.0 110.199 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 44.8 tp -57.15 -37.98 72.84 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.907 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -58.89 -51.38 70.3 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.635 -1.29 . . . . 0.0 113.033 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.08 -32.41 70.46 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 119.522 -1.986 . . . . 0.0 109.245 -178.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.84 -33.7 75.8 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.937 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.533 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.6 -10.57 53.19 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.645 -0.659 . . . . 0.0 109.94 -177.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.7 p -89.68 -7.71 54.0 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 118.159 -1.417 . . . . 0.0 110.908 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.8 mt -93.44 159.35 15.28 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.209 -0.932 . . . . 0.0 110.08 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.81 2.97 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.1 mt -119.6 47.48 1.7 Allowed 'General case' 0 C--N 1.309 -1.185 0 O-C-N 120.714 -1.462 . . . . 0.0 107.405 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.6 p -81.46 172.49 13.46 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.886 -1.126 . . . . 0.0 109.197 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -60.66 140.92 57.29 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.857 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.19 79.06 Favored Glycine 0 N--CA 1.5 2.93 0 C-N-CA 120.015 -1.088 . . . . 0.0 111.387 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.39 135.88 34.1 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 120.891 -1.358 . . . . 0.0 110.663 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.3 t -96.53 123.65 48.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.09 160.08 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 117.402 -1.719 . . . . 0.0 110.66 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 87.1 m -108.84 128.33 54.81 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 120.483 -1.385 . . . . 0.0 107.668 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.2 mt -107.84 121.36 60.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.64 147.22 50.72 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.67 153.5 47.29 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 118.482 -1.287 . . . . 0.0 109.773 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.29 110.73 6.37 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 118.547 -1.261 . . . . 0.0 108.085 178.175 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.29 -170.26 40.16 Favored Glycine 0 C--N 1.296 -1.69 0 C-N-CA 117.982 -2.056 . . . . 0.0 110.333 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.58 82.96 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-N 114.389 -0.905 . . . . 0.0 112.159 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.99 36.62 3.61 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 115.921 -2.311 . . . . 0.0 108.569 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.49 65.67 Favored 'General case' 0 N--CA 1.521 3.119 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.435 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.61 27.32 Favored 'General case' 0 N--CA 1.508 2.47 0 O-C-N 119.544 -1.973 . . . . 0.0 111.022 -176.61 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.786 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.66 97.65 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.25 -49.48 77.66 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 117.518 -1.673 . . . . 0.0 110.014 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.79 -42.28 89.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-O 122.214 1.007 . . . . 0.0 109.279 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.77 -47.97 76.11 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.078 0.942 . . . . 0.0 108.792 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.786 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.75 -38.3 76.76 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.738 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.539 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.64 -28.62 58.86 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.428 -1.42 . . . . 0.0 110.875 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.45 -39.46 71.22 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.97 -49.2 63.1 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.21 -45.24 84.01 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 118.974 -1.09 . . . . 0.0 110.523 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.41 -37.31 85.31 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.836 -1.165 . . . . 0.0 111.56 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.81 61.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.026 -1.046 . . . . 0.0 110.295 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.92 -32.21 45.52 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.564 -0.71 . . . . 0.0 111.347 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.46 12.25 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 124.313 2.006 . . . . 0.0 112.913 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.902 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.6 mm-40 . . . . . 0 C--N 1.277 -2.578 0 CA-C-N 111.088 -2.778 . . . . 0.0 110.166 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.1 mt . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -63.37 -48.26 78.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.917 0.389 . . . . 1.94 110.28 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.32 -34.63 78.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.259 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.81 -42.44 95.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.357 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.42 -44.1 97.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.964 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.2 mtp -59.1 -41.85 89.1 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.499 -0.556 . . . . 1.04 109.499 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.44 98.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.31 -42.4 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.235 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.93 -44.61 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 1.05 109.799 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.31 -43.96 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.513 . . . . 1.02 109.959 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.8 -46.03 92.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.771 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 m -59.64 -43.89 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.902 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -63.06 -42.36 99.6 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.4 mm-40 -63.04 -44.06 96.94 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.22 -48.57 81.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -61.15 -46.61 89.85 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 77.9 p -56.01 -43.64 77.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.25 -41.47 98.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.679 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.97 79.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -59.39 -40.6 87.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.575 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.37 87.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.734 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -43.05 90.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.674 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.05 -45.17 94.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.449 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.8 -42.56 71.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.56 -41.8 90.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.771 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.44 94.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.69 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.5 -31.01 70.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.166 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.58 -5.02 59.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.47 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.33 17.53 73.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -97.78 81.12 2.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.761 0.315 . . . . 0.0 110.252 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -64.36 -33.63 76.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.22 80.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.031 0.443 . . . . 0.0 110.748 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.51 81.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.06 81.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.02 -41.75 98.42 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.578 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.68 99.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.747 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.1 mtt -65.7 -41.97 91.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 72.1 mtm -63.81 -41.28 97.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.61 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.37 -45.45 93.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.04 0.448 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.04 -41.65 97.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.257 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.0 m -60.38 -46.23 90.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.525 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.89 -42.23 97.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.327 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.03 -42.47 99.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.214 0.53 . . . . 0.0 110.58 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.28 98.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.15 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.0 -39.67 93.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.655 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -60.49 -42.11 95.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.211 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.58 -40.99 93.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.169 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.57 89.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.511 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -63.54 -37.6 87.92 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.058 -0.519 . . . . 0.13 110.405 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.64 -44.48 96.35 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.33 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.31 -42.59 94.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.069 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.412 HE21 HD22 ' A' ' 74' ' ' LEU . 66.6 tp60 -59.46 -44.21 93.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.279 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 m -56.74 -41.97 78.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 1.03 110.028 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.84 -40.07 91.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.962 0.41 . . . . 0.0 110.582 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.68 -38.38 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.658 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.8 mt -71.08 -38.21 70.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.516 . . . . 1.01 110.86 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.435 -179.168 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.226 -0.138 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.8 mt -57.41 -45.77 84.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.552 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.84 -46.16 92.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.543 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.412 HD22 HE21 ' A' ' 55' ' ' GLN . 83.3 mt -63.24 -41.78 99.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.005 0.431 . . . . 1.03 110.916 -178.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.77 -47.48 91.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.805 -0.634 . . . . 1.12 110.191 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -58.94 -45.8 89.56 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.314 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.3 94.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.502 -0.317 . . . . 1.01 110.668 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.31 -40.17 95.42 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.176 -0.465 . . . . 1.89 110.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -57.0 -46.87 81.99 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.423 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -68.11 -46.4 71.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.334 -0.394 . . . . 0.13 110.686 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.94 -46.69 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.741 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.86 -43.11 99.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.216 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.6 p -63.99 -48.62 75.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.094 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.6 m -61.19 -49.36 77.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.471 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.9 ttp -57.5 -48.12 80.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.526 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.03 -45.06 95.24 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.027 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.94 82.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.819 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -57.9 -45.26 86.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.163 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.478 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.2 mt-10 -62.0 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.111 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.49 -43.61 93.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 109.844 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.427 HD13 HG22 ' A' ' 91' ' ' ILE . 80.4 mt -60.38 -42.3 90.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.323 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -57.73 -45.19 86.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.028 0.442 . . . . 0.0 109.897 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.95 -44.22 93.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.608 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.578 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.9 mt -59.22 -44.01 92.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.39 -42.65 94.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.441 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.25 -40.55 94.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.31 -41.83 98.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.864 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 66.6 m80 -60.22 -40.56 90.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.85 -38.78 92.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.177 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -63.51 -40.79 97.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.147 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.428 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.35 -48.25 78.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.879 0.371 . . . . 1.94 110.319 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -66.22 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.165 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.98 -42.54 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.357 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.37 -43.97 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.901 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -59.11 -41.93 89.34 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.589 -0.522 . . . . 1.05 109.589 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.16 -42.1 98.13 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.3 mt -62.76 -42.69 99.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.769 0.319 . . . . 0.0 110.339 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.96 -44.13 99.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 1.08 109.723 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.53 -44.05 98.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.891 -0.595 . . . . 1.02 109.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.89 -45.99 92.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.83 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.4 m -59.71 -43.91 93.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.059 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.93 -42.3 99.7 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.4 mm-40 -62.89 -44.03 97.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.64 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.878 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -61.04 -46.43 90.77 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.0 p -56.34 -43.34 78.98 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.46 -41.62 98.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.723 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.04 78.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.478 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.1 m-85 -59.29 -40.49 86.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.697 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.42 88.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.673 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -43.16 90.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.665 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.89 -45.39 93.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.385 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.63 -42.73 71.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.7 -41.71 91.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.907 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -43.23 93.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.678 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.74 -31.15 70.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.989 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.39 -5.11 59.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.351 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.23 17.32 74.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -97.46 81.18 2.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.776 0.322 . . . . 0.0 110.327 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.4 -33.78 76.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.555 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.39 80.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.012 0.434 . . . . 0.0 110.753 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.79 82.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.456 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.25 81.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.544 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.13 -41.72 98.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.586 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.41 99.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.628 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 63.1 mtt -65.88 -42.3 90.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.539 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 72.7 mtm -63.52 -41.18 98.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.565 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -62.44 -45.45 93.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.51 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.16 -41.45 97.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.373 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.8 m -60.49 -46.16 91.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.485 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -61.12 -42.05 97.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.365 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.08 -42.25 99.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.225 0.536 . . . . 0.0 110.615 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.83 98.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.131 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.36 -39.7 92.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.712 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -60.49 -41.97 95.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.329 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.75 -40.94 92.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.16 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.82 -43.11 89.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.498 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -63.03 -38.02 89.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.13 110.289 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.17 -44.59 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.342 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.21 -42.71 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 110.023 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.409 HE21 HD22 ' B' ' 74' ' ' LEU . 66.4 tp60 -59.42 -44.39 92.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.1 m -56.5 -42.27 78.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 1.03 109.978 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.57 -40.12 90.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.948 0.404 . . . . 0.0 110.548 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.54 -38.56 87.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.751 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 86.4 mt -70.93 -38.24 71.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.035 -0.529 . . . . 1.01 110.782 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.601 -179.245 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 15.8 p . . . . . 0 N--CA 1.461 0.089 0 CA-C-O 121.027 0.442 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 23.8 mt -59.16 -45.59 90.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.578 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.1 -45.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.574 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.409 HD22 HE21 ' B' ' 55' ' ' GLN . 83.7 mt -63.31 -41.53 98.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.042 0.449 . . . . 1.03 110.979 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -47.1 93.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.757 -0.656 . . . . 1.12 110.296 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.445 ' CE1' ' CE1' ' B' ' 80' ' ' HIS . 53.9 t-80 -59.11 -46.24 88.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.848 -0.341 . . . . 2.11 110.245 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.25 95.4 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.839 0.352 . . . . 1.01 110.441 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -62.26 -39.81 94.13 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.088 -0.506 . . . . 1.89 110.298 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.6 -46.89 83.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.347 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.445 ' CE1' ' CE1' ' B' ' 76' ' ' HIS . 44.1 m80 -68.01 -46.43 71.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.376 -0.375 . . . . 0.14 110.782 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.82 -47.02 88.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.63 -43.02 99.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.189 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.1 p -63.91 -49.09 74.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.131 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -60.54 -49.66 76.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.663 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.53 -47.85 80.88 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.49 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.16 -45.24 94.3 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.62 -47.85 82.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.892 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -57.97 -45.08 87.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.484 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -62.14 -43.04 99.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.165 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.69 -43.55 93.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.115 0.483 . . . . 0.0 110.022 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . 0.42 HG22 HD13 ' B' ' 91' ' ' ILE . 80.8 mt -60.42 -42.27 90.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.253 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 69.5 m -57.64 -45.37 85.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.046 0.45 . . . . 0.0 109.827 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.08 -44.18 93.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.579 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.6 mt -59.09 -44.02 91.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.48 -42.75 95.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.476 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.74 -40.97 94.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.25 -41.75 98.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.803 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.579 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 66.9 m80 -60.16 -40.58 90.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.753 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.69 -39.01 93.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.099 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.83 -40.58 96.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.206 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.448 179.587 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 57.6 mt . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.627 0.251 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -63.57 -48.1 78.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 1.94 110.398 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.27 -34.55 78.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.313 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 96.5 t -63.87 -42.58 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.405 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -61.44 -44.15 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.964 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.1 mtp -59.04 -41.49 87.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.58 -0.526 . . . . 1.05 109.58 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.65 -41.94 97.52 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.9 -42.51 99.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.32 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.81 -44.53 99.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.013 -0.539 . . . . 1.09 109.733 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.16 -44.45 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 1.02 110.015 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.48 -45.85 92.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.765 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 37.2 m -59.79 -44.02 94.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.42 99.68 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . 0.507 ' O ' ' OG ' ' C' ' 20' ' ' SER . 92.2 mm-40 -62.91 -44.11 96.97 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.97 -49.26 78.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -60.93 -46.4 90.83 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.8 p -56.01 -43.94 78.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.87 -41.76 98.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.711 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.51 -48.17 77.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.484 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.3 m-85 -59.43 -40.36 86.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.508 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.36 88.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.72 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.97 91.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.562 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.82 -45.47 93.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.466 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.88 -42.22 71.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.49 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.16 -41.19 92.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.901 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.22 95.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.786 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.86 -31.07 70.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.099 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.25 -5.15 59.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.451 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.35 17.57 73.51 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.76 81.38 2.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.717 0.294 . . . . 0.0 110.258 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.68 -33.77 76.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.547 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.47 79.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.01 0.434 . . . . 0.0 110.654 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.64 81.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.16 81.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.502 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.03 -41.84 98.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.691 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.72 99.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mtt -65.75 -42.09 91.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 74.0 mtm -63.83 -41.04 97.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.586 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.4 -45.71 91.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.482 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -64.1 -41.41 97.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.326 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.54 -45.93 92.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.538 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -61.1 -41.91 97.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.325 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.41 -42.4 99.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.263 0.554 . . . . 0.0 110.493 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.05 98.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.3 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.11 -40.13 94.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.706 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -60.53 -41.99 95.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.334 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.65 -40.84 92.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.026 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.93 -43.23 88.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.388 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.649 ' CD2' ' ND2' ' D' ' 312' ' ' ASN . 63.0 t-80 -62.78 -38.0 88.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.052 -0.522 . . . . 0.14 110.347 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.29 -44.6 95.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.307 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 68.5 t -65.03 -42.88 95.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.993 0.425 . . . . 0.0 109.948 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.42 HE21 HD22 ' C' ' 74' ' ' LEU . 66.3 tp60 -59.31 -44.55 92.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.241 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 15.3 m -56.4 -42.22 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.363 . . . . 1.03 110.122 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.66 -40.19 91.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.47 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.3 -38.51 87.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.14 -37.8 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 1.01 110.832 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.536 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.445 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 120.627 0.251 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.7 -46.13 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 130.09 3.356 . . . . 0.0 110.683 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.42 HD22 HE21 ' C' ' 55' ' ' GLN . 83.7 mt -65.34 -41.11 94.26 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.191 -0.459 . . . . 1.03 110.975 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.38 -47.55 92.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.821 -0.627 . . . . 1.13 110.2 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.451 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 54.0 t-80 -59.2 -46.08 89.37 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.911 -0.315 . . . . 1.96 110.294 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.96 95.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.864 0.364 . . . . 1.01 110.436 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.65 -39.8 95.04 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.148 -0.478 . . . . 1.89 110.22 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 46.0 tp -57.39 -46.91 82.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.515 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.451 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 44.9 m80 -68.2 -46.28 71.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.382 -0.372 . . . . 0.13 110.73 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.9 -46.88 88.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.821 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.71 -42.74 99.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.3 p -64.35 -48.67 74.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.188 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 73.6 m -61.06 -49.3 77.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.57 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -57.58 -48.19 80.06 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.534 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.86 -45.07 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.154 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.63 84.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -58.17 -45.11 88.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.246 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.84 -43.38 98.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 110.225 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.5 -43.5 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.227 0.537 . . . . 0.0 110.059 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . 0.411 HD13 HG22 ' C' ' 91' ' ' ILE . 80.0 mt -60.41 -42.2 90.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.362 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 74.0 m -57.8 -45.24 86.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.034 0.445 . . . . 0.0 109.917 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.07 -43.94 93.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.565 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.587 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 80.6 mt -59.31 -44.03 92.6 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.33 -42.94 95.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.639 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.7 -40.67 93.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.759 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.29 -41.69 98.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.862 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.2 m80 -60.44 -40.39 90.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.711 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.93 -38.65 91.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.133 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -63.73 -40.93 97.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.321 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.07 -42.47 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.379 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -84.24 132.69 34.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.435 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.505 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.513 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.867 0.842 . . . . 0.0 108.941 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.0 t80 -139.8 143.0 36.66 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.37 38.65 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.935 -1.103 . . . . 0.0 109.555 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.21 149.18 28.46 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.3 19.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.056 -1.027 . . . . 0.0 108.391 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.69 136.62 36.97 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 122.129 0.966 . . . . 0.0 110.14 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.98 114.3 24.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 177.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.83 -4.38 19.33 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.893 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.52 141.76 85.71 Favored Pre-proline 0 N--CA 1.5 2.04 0 O-C-N 119.769 -1.832 . . . . 0.0 110.647 178.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.41 -47.71 12.65 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 124.785 3.657 . . . . 0.0 114.139 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.649 ' ND2' ' CD2' ' C' ' 52' ' ' HIS . 10.3 m120 -102.12 27.57 6.53 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 116.082 -2.247 . . . . 0.0 108.796 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.04 -126.83 29.46 Favored Glycine 0 N--CA 1.497 2.719 0 C-N-CA 117.669 -2.205 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 7.6 tp -126.84 78.8 1.83 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.976 -1.308 . . . . 0.0 109.528 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.413 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.5 OUTLIER -85.81 173.25 10.16 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 117.855 -1.538 . . . . 0.0 112.152 -179.629 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.71 ' HG1' ' N ' ' D' ' 317' ' ' ARG . 4.8 p -23.34 -67.71 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -176.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.71 ' N ' ' HG1' ' D' ' 316' ' ' THR . 34.3 ttt-85 -45.95 -65.54 0.65 Allowed Pre-proline 0 N--CA 1.492 1.658 0 C-N-CA 120.14 -0.624 . . . . 0.0 112.507 -177.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 21.1 Cg_endo -64.64 -32.28 58.13 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 C-N-CA 121.858 1.705 . . . . 0.0 111.509 176.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.75 86.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 0.0 109.526 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.04 -39.72 72.13 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -63.98 -39.3 93.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.49 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.543 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.77 -45.3 93.31 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.56 1.172 . . . . 0.0 108.644 -177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.65 -42.3 95.5 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.303 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.644 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.89 -40.21 96.0 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.282 -0.886 . . . . 0.0 109.744 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.467 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.81 -39.69 79.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.477 -0.764 . . . . 0.0 109.56 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.99 91.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.634 -1.291 . . . . 0.0 109.415 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.27 -16.27 43.72 Favored 'General case' 0 N--CA 1.511 2.614 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.6 86.03 Favored Glycine 0 N--CA 1.479 1.544 0 O-C-N 119.901 -1.75 . . . . 0.0 109.309 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.415 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.4 32.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.322 -1.693 . . . . 0.0 110.006 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.6 p -75.64 -30.04 59.35 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.35 -0.844 . . . . 0.0 112.309 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.8 158.53 10.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 119.828 -1.795 . . . . 0.0 112.868 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.23 35.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 102.805 -3.035 . . . . 0.0 102.805 171.289 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.68 136.66 60.16 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 122.209 1.004 . . . . 0.0 109.294 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.41 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.9 m -125.05 143.17 51.05 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-O 123.132 1.444 . . . . 0.0 109.944 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.41 ' N ' HG23 ' D' ' 334' ' ' THR . 86.2 t -108.09 130.0 61.35 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.69 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 173.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.5 m -127.53 119.57 26.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.918 -1.114 . . . . 0.0 108.917 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.54 122.6 39.27 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.582 -0.699 . . . . 0.0 109.97 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.71 38.96 24.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.943 -1.098 . . . . 0.0 112.761 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 11.02 83.46 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 120.008 -1.683 . . . . 0.0 112.515 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.85 136.28 54.54 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 69.0 m -124.79 158.49 33.22 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-O 123.794 1.759 . . . . 0.0 112.39 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.6 151.43 31.51 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 112.531 -2.122 . . . . 0.0 108.659 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.641 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.66 135.98 48.75 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 173.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.98 -6.74 47.4 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.59 -1.319 . . . . 0.0 110.701 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.641 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.49 12.88 31.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.67 -1.269 . . . . 0.0 109.378 -177.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.1 m -133.03 104.13 6.38 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 122.103 0.954 . . . . 0.0 110.173 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.22 -37.92 72.97 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.954 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -58.89 -51.32 70.53 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.593 -1.317 . . . . 0.0 113.144 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.52 70.75 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 119.505 -1.997 . . . . 0.0 109.191 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.75 -33.79 75.87 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 119.004 -1.078 . . . . 0.0 109.952 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.536 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.61 -10.44 52.09 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.593 -0.692 . . . . 0.0 109.953 -177.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 38.5 p -89.77 -7.79 53.66 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.951 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 93.8 mt -93.29 159.24 15.35 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.202 -0.936 . . . . 0.0 110.211 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.909 0 N-CA-C 106.951 -2.46 . . . . 0.0 106.951 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 87.6 mt -119.59 47.38 1.72 Allowed 'General case' 0 C--N 1.309 -1.167 0 O-C-N 120.741 -1.447 . . . . 0.0 107.438 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 3.2 p -81.53 172.55 13.34 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.745 -1.182 . . . . 0.0 109.19 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.67 140.89 57.31 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.823 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.16 79.0 Favored Glycine 0 N--CA 1.5 2.951 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.335 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.44 135.85 34.09 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.775 -1.426 . . . . 0.0 110.627 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.53 123.69 48.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.15 160.09 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 C-N-CA 117.433 -1.707 . . . . 0.0 110.61 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.87 128.36 54.84 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.619 -1.301 . . . . 0.0 107.592 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.85 121.39 60.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 105.442 -2.059 . . . . 0.0 105.442 176.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.57 147.19 50.69 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.4 47.18 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.799 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.76 6.4 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.06 178.183 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.33 40.2 Favored Glycine 0 C--N 1.297 -1.624 0 C-N-CA 118.002 -2.047 . . . . 0.0 110.375 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.57 82.59 Favored 'General case' 0 C--N 1.276 -2.603 0 CA-C-N 114.437 -0.882 . . . . 0.0 112.19 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.03 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 115.912 -2.315 . . . . 0.0 108.587 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.35 -33.53 65.75 Favored 'General case' 0 N--CA 1.521 3.11 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 -174.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.421 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.65 27.42 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 119.575 -1.953 . . . . 0.0 110.982 -176.569 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.781 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.79 98.02 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 178.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.59 77.29 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.493 -1.683 . . . . 0.0 109.971 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.77 -42.17 88.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 122.198 0.999 . . . . 0.0 109.315 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.93 -47.94 76.63 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 122.047 0.927 . . . . 0.0 108.702 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.781 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 14.0 m-70 -69.79 -38.32 76.64 Favored 'General case' 0 C--N 1.291 -1.966 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.688 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.53 -28.66 59.16 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.431 -1.418 . . . . 0.0 110.908 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.5 71.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.17 63.35 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.467 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.23 84.33 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.534 177.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.35 -37.32 85.2 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.86 -1.15 . . . . 0.0 111.564 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.8 61.62 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.155 -0.966 . . . . 0.0 110.28 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.94 -32.3 45.48 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.453 -0.78 . . . . 0.0 111.31 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.54 12.48 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.358 2.028 . . . . 0.0 112.896 178.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.893 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 78.7 mm-40 . . . . . 0 C--N 1.277 -2.545 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.09 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.76 -47.19 79.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 1.94 110.223 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -67.71 -37.01 81.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.276 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.93 -42.39 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.349 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.47 -44.88 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.926 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.4 mtp -59.3 -41.37 88.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.534 -0.543 . . . . 1.04 109.534 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.6 -42.58 97.3 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.23 -43.62 97.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.252 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.09 -44.6 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 1.05 109.817 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.95 -44.44 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 1.02 110.014 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -61.25 -46.79 88.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.768 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.45 -44.18 96.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.977 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.587 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.06 -44.1 97.81 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.7 mm-40 -62.58 -44.45 96.29 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.13 78.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.83 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -61.21 -46.49 90.24 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.544 ' HG ' ' N ' ' A' ' 21' ' ' LEU . 79.4 p -56.29 -43.56 78.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' N ' ' HG ' ' A' ' 20' ' ' SER . 74.9 mt -61.9 -41.16 97.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.702 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.5 -48.21 79.86 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.49 -41.51 90.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.606 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.5 96.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.751 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.01 88.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.719 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.83 -44.87 95.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.395 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.39 -42.16 73.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.02 -41.47 96.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.775 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.08 94.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.753 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.03 -29.56 69.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.186 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -80.79 -4.76 55.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.28 14.06 75.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.88 80.0 2.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.732 0.301 . . . . 0.0 110.287 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -64.53 -34.63 78.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.659 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.2 83.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.078 0.466 . . . . 0.0 110.754 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.51 81.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.348 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.81 -47.35 85.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.545 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -61.47 -42.1 98.26 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.57 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.1 97.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.63 -39.76 91.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 34.7 mtp -62.19 -42.56 99.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.61 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -62.38 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.499 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.64 -42.21 98.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.259 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -60.16 -46.15 90.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.591 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -60.93 -42.09 97.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.309 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.85 -42.27 98.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.17 0.51 . . . . 0.0 110.526 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.49 98.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.17 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.63 -39.35 91.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.658 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -60.96 -41.97 97.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.327 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.21 -40.12 93.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.195 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.22 81.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.534 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.32 -38.1 88.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.065 -0.516 . . . . 0.13 110.372 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.0 -44.01 98.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.39 -43.38 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.062 0.458 . . . . 0.0 110.033 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.588 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -60.07 -43.76 95.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.588 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 19.5 m -56.78 -42.54 79.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 1.03 110.048 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.71 -38.97 89.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.54 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.98 -30.17 71.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.443 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 96.7 mt -82.31 -32.01 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.53 . . . . 1.01 110.864 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.875 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 86.6 p . . . . . 0 N--CA 1.462 0.15 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.69 -41.9 82.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.694 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.2 t -63.01 -44.76 99.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.914 0.388 . . . . 0.0 110.514 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.453 ' H ' ' HG ' ' A' ' 71' ' ' SER . 19.4 mt -61.6 -39.7 92.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.057 0.456 . . . . 1.03 110.935 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.45 -46.84 89.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.737 -0.665 . . . . 1.12 110.185 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -58.83 -44.77 90.99 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.319 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.25 98.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.814 0.34 . . . . 1.01 110.679 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.426 HE21 HE21 ' A' ' 55' ' ' GLN . 83.7 mt-30 -61.84 -39.18 90.95 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.89 110.195 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.3 tp -56.52 -46.61 80.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.409 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.45 ' O ' ' OG1' ' A' ' 83' ' ' THR . 72.3 m-70 -66.82 -46.5 74.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.289 -0.414 . . . . 0.13 110.732 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.33 -45.48 94.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.721 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.05 -43.38 98.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.17 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 22.5 p -62.42 -45.07 94.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.085 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -61.95 -49.17 77.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -58.02 -47.64 82.47 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.52 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.45 -44.46 97.08 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.102 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.42 85.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.872 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -58.64 -45.25 89.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -61.69 -43.99 97.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.092 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.52 -42.5 95.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 109.849 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -60.83 -42.75 93.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.4 m -57.35 -46.08 83.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.036 0.446 . . . . 0.0 109.933 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.43 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 98.9 mt-10 -63.06 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.583 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.547 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.9 mt -59.78 -42.95 94.45 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.02 -42.95 95.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.5 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.13 -39.3 92.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.071 0.462 . . . . 0.0 109.787 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.09 -41.72 98.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.843 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.547 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.8 m80 -60.76 -39.15 87.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.9 -39.44 91.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.185 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.43 ' HZ1' ' CD2' ' B' ' 98' ' ' HIS . 98.2 mttt -64.44 -39.38 93.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.226 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.365 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.604 0.24 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.6 -47.18 79.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.881 0.372 . . . . 1.94 110.272 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -67.64 -37.07 81.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.279 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.82 -42.46 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.58 -44.63 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.868 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mtp -59.39 -41.63 89.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.54 -0.541 . . . . 1.05 109.54 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -42.65 97.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.85 -43.69 98.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.853 0.358 . . . . 0.0 110.437 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.29 -44.53 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 1.08 109.696 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.89 -44.35 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 1.02 109.893 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' B' ' 14' ' ' ASN . 44.0 t-20 -61.35 -46.59 89.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.932 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -60.79 -43.83 97.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.101 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.73 97.84 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.509 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.8 mm-40 -62.86 -44.63 95.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.38 77.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.976 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.85 -46.58 90.0 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.547 ' HG ' ' N ' ' B' ' 21' ' ' LEU . 81.1 p -55.97 -44.09 78.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.547 ' N ' ' HG ' ' B' ' 20' ' ' SER . 76.2 mt -61.36 -41.57 97.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.711 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.06 80.18 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.42 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 23.4 m-85 -59.66 -41.51 90.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.637 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.6 96.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.778 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.19 89.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.619 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.44 -45.29 94.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.339 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.3 -41.86 72.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.14 -41.14 96.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.873 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.87 95.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.717 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.28 -29.37 69.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.068 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.95 -4.67 55.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.06 14.17 75.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.84 79.85 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.355 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.84 -34.48 78.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.608 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -47.66 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.006 0.432 . . . . 0.0 110.848 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.62 81.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.395 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.26 86.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.578 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -61.37 -42.56 98.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 0.0 110.55 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.09 97.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.649 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 95.0 mmm -65.56 -40.19 92.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 34.2 mtp -61.81 -42.79 99.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.548 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -62.24 -43.62 98.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.464 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.08 -42.46 99.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -60.19 -46.12 90.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.474 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.88 -41.68 96.46 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.369 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.98 -42.6 99.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.32 0.581 . . . . 0.0 110.611 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.28 98.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.171 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.1 -39.24 89.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.785 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -60.95 -41.88 97.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.361 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.34 -39.97 93.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.14 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.49 80.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.44 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.26 -38.22 88.45 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.13 110.222 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.66 -43.95 97.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.878 0.371 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.72 -43.24 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.068 0.461 . . . . 0.0 110.02 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.594 ' OE1' ' N ' ' B' ' 56' ' ' THR . 1.0 OUTLIER -60.3 -43.44 96.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.594 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 18.9 m -56.8 -42.93 80.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 1.03 110.007 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.33 -39.0 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.916 0.389 . . . . 0.0 110.595 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.94 -30.27 71.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.705 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.443 ' CD1' ' NE2' ' B' ' 55' ' ' GLN . 97.0 mt -82.27 -32.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.086 -0.506 . . . . 1.01 110.721 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.529 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.456 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 93.5 p . . . . . 0 N--CA 1.46 0.05 0 CA-C-O 121.047 0.451 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.31 -41.68 93.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.545 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.04 -44.41 98.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.6 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' B' ' 71' ' ' SER . 19.5 mt -61.6 -39.27 90.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.167 0.508 . . . . 1.03 111.04 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.8 -46.35 90.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.802 -0.636 . . . . 1.12 110.256 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -59.39 -44.79 92.74 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.836 -0.346 . . . . 2.11 110.309 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.22 98.89 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.917 0.389 . . . . 1.01 110.417 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.434 HE21 HE21 ' B' ' 55' ' ' GLN . 83.5 mt-30 -62.01 -38.93 90.48 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.89 110.264 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.71 -46.42 81.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.398 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' B' ' 83' ' ' THR . 71.4 m-70 -66.94 -46.54 74.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.387 -0.37 . . . . 0.14 110.725 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -60.83 -43.03 98.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.372 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 21.7 p -62.88 -45.1 94.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.12 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -61.89 -49.09 77.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.2 ttp -57.84 -47.85 81.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.517 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.28 -44.53 97.08 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.185 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.76 -47.47 84.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.916 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -58.63 -45.65 88.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.279 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.406 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.7 mt-10 -61.25 -44.24 97.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.128 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.15 -42.67 96.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.042 0.448 . . . . 0.0 110.042 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . 0.401 HG22 HD11 ' B' ' 91' ' ' ILE . 78.1 mt -60.84 -42.7 93.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.196 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -57.14 -46.21 82.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.126 0.489 . . . . 0.0 109.855 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.434 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 98.6 mt-10 -63.1 -43.12 99.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.533 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.3 mt -59.7 -42.92 94.08 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.21 -43.01 95.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.517 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.9 -39.23 91.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.731 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.26 -41.54 98.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.799 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 68.1 m80 -60.82 -39.0 87.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.778 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.16 -39.83 93.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.101 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . 0.439 ' HZ1' ' CD2' ' C' ' 98' ' ' HIS . 98.1 mttt -64.03 -39.3 93.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.23 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.411 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.645 0.26 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.75 -47.2 79.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 1.94 110.372 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.45 -37.04 82.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.332 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.86 -42.32 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.385 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.65 -44.54 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.985 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.9 mtp -59.64 -41.27 90.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.598 -0.519 . . . . 1.05 109.598 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.7 -42.55 97.17 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.22 -43.46 98.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.391 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.404 HG23 HD11 ' C' ' 12' ' ' ILE . 92.8 mt -63.26 -44.65 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 1.09 109.679 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.83 -44.29 98.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 1.02 110.044 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' C' ' 14' ' ' ASN . 43.4 t-20 -61.77 -46.2 90.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.837 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.94 -43.65 98.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.185 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.7 -43.41 97.87 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' C' ' 20' ' ' SER . 92.7 mm-40 -63.01 -44.13 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.2 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.19 -46.38 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.546 ' HG ' ' N ' ' C' ' 21' ' ' LEU . 79.1 p -56.09 -44.34 78.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.546 ' N ' ' HG ' ' C' ' 20' ' ' SER . 75.9 mt -61.15 -41.41 96.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.719 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.42 -48.17 79.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.406 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -59.8 -41.48 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.542 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.24 96.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.718 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.39 89.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.537 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.52 -45.13 95.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.416 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.33 -41.98 73.16 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.14 -41.09 96.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.91 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.25 94.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.764 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.15 -29.51 69.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.057 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -80.6 -4.75 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.476 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.98 14.44 75.08 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -97.15 79.98 2.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.718 0.294 . . . . 0.0 110.213 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -64.7 -34.58 78.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.508 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.52 82.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.08 0.467 . . . . 0.0 110.716 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.41 -35.53 81.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.345 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.01 -46.9 87.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.476 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -61.61 -42.61 99.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 110.552 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.23 97.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.59 -40.1 92.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 34.7 mtp -61.9 -42.66 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.622 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -62.49 -42.88 99.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.48 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -63.89 -42.32 97.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.282 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.01 -46.15 90.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.562 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.72 -42.19 96.79 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.395 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.7 mtp -61.74 -42.43 98.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.359 0.6 . . . . 0.0 110.53 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.32 98.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.339 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.98 -39.37 90.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . 0.4 HD21 ' HA ' ' C' ' 49' ' ' ASN . 7.5 m120 -61.08 -41.68 97.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.41 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.49 -40.17 92.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.074 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.5 81.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.364 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' D' ' 312' ' ' ASN . 84.5 t60 -62.1 -38.38 88.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.032 -0.531 . . . . 0.14 110.301 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.0 -43.59 98.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.249 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.62 -43.29 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.066 0.46 . . . . 0.0 110.013 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' C' ' 56' ' ' THR . 1.0 OUTLIER -60.49 -43.47 96.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.236 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' THR . . . . . 0.578 ' N ' ' OE1' ' C' ' 55' ' ' GLN . 18.0 m -56.93 -42.59 80.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.406 . . . . 1.03 110.173 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.5 -38.84 88.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.909 0.385 . . . . 0.0 110.533 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.02 -30.15 71.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.445 ' CD1' ' NE2' ' C' ' 55' ' ' GLN . 96.9 mt -82.43 -32.04 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.911 -0.586 . . . . 1.01 110.834 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.4 mm-40 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 120.578 0.228 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.61 -44.73 99.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 130.075 3.35 . . . . 0.0 110.661 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 21.4 mt -63.43 -39.29 94.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.111 0.481 . . . . 1.03 111.067 177.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.76 -47.29 89.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.757 -0.656 . . . . 1.13 110.213 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -59.1 -44.81 91.97 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.862 -0.335 . . . . 1.96 110.365 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.37 98.66 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.797 0.332 . . . . 1.01 110.379 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . 0.433 HE21 HE21 ' C' ' 55' ' ' GLN . 83.6 mt-30 -61.82 -39.16 90.81 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.89 110.265 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.62 -46.4 80.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.496 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.447 ' O ' ' OG1' ' C' ' 83' ' ' THR . 72.0 m-70 -67.06 -46.39 74.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.391 -0.368 . . . . 0.13 110.732 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.5 -45.34 94.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.825 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.03 -43.02 99.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.382 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 22.1 p -62.98 -44.82 94.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.133 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.05 -49.22 76.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.57 -48.0 80.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.546 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.4 -44.51 97.02 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.71 -47.54 84.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.923 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -58.6 -45.45 89.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.21 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.2 -44.43 97.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.96 0.41 . . . . 0.0 110.224 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.12 -42.86 96.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.157 0.503 . . . . 0.0 110.032 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.54 -42.95 93.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.323 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.5 m -56.98 -45.77 82.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.05 0.453 . . . . 0.0 109.963 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.63 -42.96 98.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.458 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.545 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.1 mt -59.65 -43.0 94.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.403 HG21 HD12 ' C' ' 95' ' ' ILE . 86.0 mt -61.07 -42.91 94.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.546 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -62.23 -39.02 91.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.11 0.481 . . . . 0.0 109.73 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.24 -41.4 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.934 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.4 m80 -61.16 -38.65 87.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.767 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.9 tt0 -62.4 -39.71 94.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.092 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.21 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.5 -41.88 96.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.377 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.2 mttt -91.8 142.38 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.53 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.517 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.876 0.846 . . . . 0.0 108.901 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.5 t80 -139.78 143.03 36.72 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.96 156.28 38.58 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.001 -1.062 . . . . 0.0 109.58 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.1 149.19 28.54 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.39 18.91 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.041 -1.037 . . . . 0.0 108.314 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.89 144.35 19.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.72 136.62 37.0 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 122.199 1.0 . . . . 0.0 110.1 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.93 114.3 24.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.85 -4.28 19.4 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.889 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.85 85.78 Favored Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 119.693 -1.879 . . . . 0.0 110.593 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.5 -47.73 12.82 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 124.737 3.625 . . . . 0.0 114.104 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.4 ' HB3' ' CE1' ' C' ' 52' ' ' HIS . 94.8 m-20 -102.09 27.56 6.53 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 116.14 -2.224 . . . . 0.0 108.786 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.69 -119.82 11.74 Favored Glycine 0 N--CA 1.497 2.714 0 C-N-CA 117.683 -2.199 . . . . 0.0 109.573 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.1 tp -137.94 79.41 1.74 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.931 -1.334 . . . . 0.0 109.53 -177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.403 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.4 OUTLIER -86.67 179.27 6.82 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 117.87 -1.532 . . . . 0.0 112.221 -179.089 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 15.6 p -21.99 -67.31 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 -177.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.587 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.2 ttt-85 -49.45 -65.83 0.74 Allowed Pre-proline 0 N--CA 1.493 1.685 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.544 -176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.9 Cg_endo -64.65 -32.25 58.03 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.776 1.651 . . . . 0.0 111.529 177.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.84 86.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.176 -0.953 . . . . 0.0 109.514 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.67 72.5 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.97 -39.41 94.06 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 117.982 -1.487 . . . . 0.0 109.451 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.538 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.25 93.67 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.614 1.197 . . . . 0.0 108.739 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.73 -42.2 95.28 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.66 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -63.98 -40.24 95.93 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.23 -0.919 . . . . 0.0 109.716 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.66 80.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.397 -0.814 . . . . 0.0 109.552 177.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.12 -43.96 91.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.528 -1.357 . . . . 0.0 109.439 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.39 -16.18 43.9 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.58 86.11 Favored Glycine 0 N--CA 1.478 1.48 0 O-C-N 119.862 -1.773 . . . . 0.0 109.323 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.415 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.42 143.33 32.84 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.224 -1.75 . . . . 0.0 109.997 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.3 p -75.58 -30.08 59.52 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.142 -0.974 . . . . 0.0 112.358 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.73 158.56 10.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 119.832 -1.792 . . . . 0.0 112.799 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.03 130.21 35.28 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 102.846 -3.02 . . . . 0.0 102.846 171.245 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.61 136.6 60.34 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.403 0 CA-C-O 122.152 0.977 . . . . 0.0 109.302 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.417 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.4 m -124.97 143.29 50.97 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-O 123.181 1.467 . . . . 0.0 109.971 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.417 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.18 129.94 61.58 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.697 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 173.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 70.5 m -127.46 119.57 26.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.837 -1.165 . . . . 0.0 108.972 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.62 122.58 39.16 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.569 -0.707 . . . . 0.0 109.848 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.76 38.96 24.43 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.885 -1.134 . . . . 0.0 112.749 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.87 83.69 Favored Glycine 0 N--CA 1.501 3.02 0 O-C-N 119.874 -1.766 . . . . 0.0 112.548 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.74 136.3 54.49 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.77 158.52 33.11 Favored 'General case' 0 C--N 1.274 -2.693 0 CA-C-O 123.798 1.761 . . . . 0.0 112.436 -176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.43 31.46 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.516 -2.129 . . . . 0.0 108.555 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.633 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.64 135.97 48.77 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.547 -2.02 . . . . 0.0 105.547 173.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.01 -6.76 47.63 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.699 -1.251 . . . . 0.0 110.718 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.633 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.52 13.03 31.37 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.666 -1.272 . . . . 0.0 109.396 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.6 t -133.13 104.21 6.39 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.177 0.989 . . . . 0.0 110.054 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.9 tp -57.28 -37.95 73.17 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.954 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -58.86 -51.36 70.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.588 -1.32 . . . . 0.0 113.08 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.34 70.34 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.606 -1.934 . . . . 0.0 109.236 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.85 -33.71 75.83 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 118.959 -1.097 . . . . 0.0 109.92 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.41 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.64 -10.5 52.78 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.656 -0.653 . . . . 0.0 109.874 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 43.1 p -89.82 -7.66 53.84 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 118.117 -1.433 . . . . 0.0 110.901 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.36 159.33 15.3 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.141 -0.974 . . . . 0.0 110.165 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.83 2.97 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.4 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.63 -1.512 . . . . 0.0 107.379 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 4.3 p -81.44 172.5 13.45 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 118.749 -1.181 . . . . 0.0 109.248 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.67 140.89 57.3 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.884 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.18 78.79 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.372 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.47 135.92 34.05 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.914 -1.345 . . . . 0.0 110.56 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.52 123.75 48.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.0 m -112.25 160.06 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 C-N-CA 117.377 -1.729 . . . . 0.0 110.565 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 90.6 m -108.87 128.33 54.82 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.493 -1.38 . . . . 0.0 107.593 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.86 121.42 60.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.24 50.7 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.34 47.15 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 118.538 -1.265 . . . . 0.0 109.772 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.517 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.12 110.8 6.45 Favored 'General case' 0 C--N 1.287 -2.145 0 C-N-CA 118.613 -1.235 . . . . 0.0 108.061 178.203 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.33 40.11 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.02 -2.038 . . . . 0.0 110.404 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.62 82.56 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 114.452 -0.874 . . . . 0.0 112.187 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.07 36.87 3.51 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 118.925 -2.36 . . . . 0.0 108.553 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.46 -33.46 65.94 Favored 'General case' 0 N--CA 1.523 3.199 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 -174.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -45.67 27.09 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.607 -1.933 . . . . 0.0 110.982 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.775 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.71 97.82 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.55 77.46 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.499 -1.68 . . . . 0.0 110.023 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.79 -42.25 89.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 CA-C-O 122.229 1.014 . . . . 0.0 109.299 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.91 -47.83 76.75 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-O 122.019 0.914 . . . . 0.0 108.752 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.775 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.8 -38.36 76.59 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.673 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.64 -28.64 58.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.383 -1.448 . . . . 0.0 110.842 -174.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.48 71.3 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.452 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.3 62.85 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.25 -45.16 84.23 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.519 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.4 -37.39 85.61 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.899 -1.125 . . . . 0.0 111.506 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.8 61.65 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.097 -1.002 . . . . 0.0 110.275 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.84 -32.35 46.06 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.555 -0.715 . . . . 0.0 111.327 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.11 125.52 12.43 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 124.314 2.007 . . . . 0.0 112.856 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.889 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 75.0 mm-40 . . . . . 0 C--N 1.276 -2.59 0 CA-C-N 111.144 -2.753 . . . . 0.0 110.13 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 99.8 mt . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.88 -46.21 82.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.893 0.378 . . . . 1.94 110.303 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -68.27 -36.24 79.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.218 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.83 -42.42 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.431 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.2 t -61.16 -44.12 97.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.939 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -58.87 -42.29 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.427 -0.583 . . . . 1.04 109.427 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.57 98.5 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.4 -43.09 98.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.269 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.446 HG12 ' HD1' ' A' ' 80' ' ' HIS . 97.6 mt -63.09 -44.35 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 1.05 109.762 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.7 -43.87 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.964 -0.562 . . . . 1.02 109.99 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -60.83 -46.19 91.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.786 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -59.47 -44.38 93.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.967 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.47 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -62.68 -41.7 99.79 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.511 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.4 mm-40 -63.27 -43.54 97.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.76 80.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.923 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -61.33 -46.59 89.63 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.511 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.6 p -55.43 -44.24 76.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.28 -41.58 98.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.705 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.94 77.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.69 -40.06 86.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.585 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.17 94.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.736 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.44 90.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.669 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.53 -45.35 94.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.483 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.7 -42.13 74.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.9 -42.22 93.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.773 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.8 93.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.71 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.61 -30.02 69.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.178 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -83.01 -5.14 58.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.419 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.24 18.18 67.5 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -99.24 79.6 2.34 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.81 0.338 . . . . 0.0 110.267 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.02 -33.83 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.632 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.49 79.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.079 0.466 . . . . 0.0 110.778 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.59 81.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -48.31 80.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.549 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.89 -42.22 98.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.618 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.743 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.1 mtt -65.41 -42.25 92.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.516 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.85 -41.62 97.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.693 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.23 -46.72 87.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.599 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.07 -41.16 99.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.234 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -60.58 -45.63 93.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -61.0 -42.51 98.6 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.12 -43.93 98.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.164 0.507 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.19 99.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.221 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.52 -39.82 92.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.94 -41.58 96.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.308 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.74 -40.3 91.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.231 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.76 83.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.474 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -62.51 -38.17 88.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.13 110.376 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 mt -60.78 -44.64 96.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.21 -43.23 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.026 0.441 . . . . 0.0 109.976 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.43 HE21 HD21 ' A' ' 74' ' ' LEU . 64.6 tp60 -59.99 -43.34 95.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.242 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 m -56.84 -42.4 79.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 1.03 110.05 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.26 -40.51 94.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.451 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.62 -39.21 84.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.751 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.23 -39.52 79.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 1.01 110.867 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.503 -179.135 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.569 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 86.4 p . . . . . 0 C--O 1.226 -0.141 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.0 -45.35 83.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.61 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.45 -47.14 87.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 110.52 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.569 ' H ' ' HG ' ' A' ' 71' ' ' SER . 83.9 mt -63.72 -41.64 98.04 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 120.994 0.426 . . . . 1.03 110.95 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.8 t -60.53 -47.77 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.79 -0.641 . . . . 1.12 110.122 -178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -59.43 -45.67 90.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.759 0.314 . . . . 0.0 110.328 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.3 96.11 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.477 -0.329 . . . . 1.01 110.65 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.534 ' NE2' ' NE2' ' B' ' 80' ' ' HIS . 58.6 tt0 -63.23 -40.12 96.54 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.89 110.139 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.25 -44.91 84.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.37 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.446 ' HD1' HG12 ' A' ' 12' ' ' ILE . 61.5 m170 -67.19 -47.34 71.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.295 -0.411 . . . . 0.13 110.738 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.31 -45.77 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.752 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.83 -43.93 97.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.163 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.2 p -64.48 -48.54 74.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.099 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.07 -49.09 77.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.43 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.54 -48.31 79.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.691 0.282 . . . . 0.0 110.545 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.65 -44.98 95.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.113 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.64 84.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -58.0 -45.74 86.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.084 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.39 -43.53 98.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.041 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.55 -43.05 95.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.175 0.512 . . . . 0.0 109.832 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.41 HD11 HG23 ' A' ' 91' ' ' ILE . 77.2 mt -59.9 -42.09 88.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.0 m -57.87 -45.18 86.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.72 -43.97 94.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.566 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 82.6 mt -59.14 -43.68 92.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.41 -42.71 94.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.56 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -61.18 -39.11 88.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.6 -41.62 99.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.948 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.0 m80 -59.76 -40.18 87.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.5 -40.12 95.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.163 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.13 -39.47 94.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.21 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.373 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 99.3 mt . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.557 0.217 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.09 -46.07 82.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 1.94 110.383 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -68.09 -36.06 79.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.238 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.08 -42.59 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.321 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.2 t -61.14 -44.1 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.896 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.8 -42.27 88.71 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.482 -0.562 . . . . 1.05 109.482 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.42 -41.36 98.08 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.38 -43.13 98.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 110.375 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.428 HG12 ' HD1' ' B' ' 80' ' ' HIS . 97.1 mt -63.15 -44.33 99.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.042 -0.526 . . . . 1.08 109.641 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.55 -44.21 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.916 -0.584 . . . . 1.02 109.916 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.403 ' C ' ' OD1' ' B' ' 14' ' ' ASN . 51.6 t-20 -60.82 -46.06 92.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.96 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -59.11 -44.43 91.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.091 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.66 99.84 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.3 mm-40 -63.0 -43.66 98.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.86 80.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.951 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -61.23 -46.55 89.97 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 79.5 p -55.63 -44.04 76.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.2 -41.74 98.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.733 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.08 -48.69 77.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.91 -40.1 87.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.663 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.12 93.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.675 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.99 90.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.641 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.84 -45.42 93.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.351 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.87 -41.56 74.57 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.44 -41.89 94.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.901 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.7 94.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.721 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.66 -30.34 69.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.081 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -82.92 -4.82 58.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.449 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.96 18.02 68.55 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -99.04 79.78 2.39 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.804 0.335 . . . . 0.0 110.365 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.32 -33.87 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.598 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.45 79.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.031 0.443 . . . . 0.0 110.781 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.34 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.378 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.17 80.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.579 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.74 -42.42 98.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.572 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.41 98.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.689 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 62.6 mtt -65.39 -42.36 92.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.61 -41.93 98.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -62.19 -46.6 88.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.436 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.05 -41.15 99.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.299 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.2 m -60.66 -45.59 93.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.473 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -61.22 -42.28 98.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.282 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 54.1 ttp -60.98 -44.2 97.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.346 0.593 . . . . 0.0 110.665 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.11 98.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.171 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.76 -39.51 91.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.726 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.04 -41.83 97.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.386 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.59 -40.59 92.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.103 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.33 84.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.49 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -61.96 -38.15 87.42 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.13 110.332 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.94 -44.43 97.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.341 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.52 -43.05 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.987 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.429 HE21 HD21 ' B' ' 74' ' ' LEU . 63.9 tp60 -60.06 -43.03 95.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.265 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.4 m -56.97 -42.63 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 1.03 109.994 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.06 -40.47 93.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.942 0.401 . . . . 0.0 110.548 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.95 -38.71 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.66 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.75 -39.63 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.142 -0.481 . . . . 1.01 110.779 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.544 -179.071 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.57 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 99.2 p . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 121.072 0.463 . . . . 0.0 110.57 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.49 -45.52 91.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.517 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.12 -46.24 94.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.608 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.57 ' H ' ' HG ' ' B' ' 71' ' ' SER . 83.1 mt -64.37 -41.43 96.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 1.03 110.978 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 50.8 t -60.58 -47.2 93.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.79 -0.641 . . . . 1.12 110.3 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.598 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 11.8 t-160 -59.25 -46.65 87.94 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.849 -0.341 . . . . 2.11 110.297 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.61 97.41 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.913 0.387 . . . . 1.01 110.479 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.541 ' NE2' ' NE2' ' C' ' 80' ' ' HIS . 58.5 tt0 -62.66 -41.0 98.83 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.072 -0.513 . . . . 1.89 110.239 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 51.1 tp -56.83 -44.85 82.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.417 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.598 ' CE1' ' NE2' ' B' ' 76' ' ' HIS . 59.7 m170 -67.1 -47.26 71.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.375 -0.375 . . . . 0.14 110.751 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.36 -45.91 92.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -62.72 -43.64 98.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.189 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.7 p -64.81 -48.33 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.151 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.02 -49.16 77.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -57.72 -48.27 80.06 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.376 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.68 -44.97 95.94 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.088 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.71 84.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.885 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.05 -45.56 86.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.272 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.47 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.143 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.85 -42.57 94.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 0.0 109.96 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . 0.409 HG23 HD11 ' B' ' 91' ' ' ILE . 78.0 mt -60.3 -42.38 90.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.204 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.7 m -57.52 -44.89 85.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.091 0.472 . . . . 0.0 109.915 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.98 -43.81 94.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.474 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 83.1 mt -59.33 -43.62 92.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.45 -42.93 95.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.574 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -60.46 -39.83 89.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.721 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.25 -42.3 99.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.842 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.0 m80 -59.06 -40.06 83.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -62.72 -39.99 95.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.048 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.33 -39.24 93.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.384 179.763 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 99.5 mt . . . . . 0 CA--C 1.522 -0.133 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.02 -46.14 82.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.347 . . . . 1.94 110.373 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -68.31 -36.06 78.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.318 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 70.7 t -63.83 -42.65 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.346 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 80.5 t -61.05 -44.24 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.016 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.74 -42.23 88.33 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.587 -0.523 . . . . 1.05 109.587 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.57 98.4 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.3 -43.27 98.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.957 0.408 . . . . 0.0 110.457 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.423 HG12 ' HD1' ' C' ' 80' ' ' HIS . 97.7 mt -62.9 -44.59 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.558 . . . . 1.09 109.677 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.413 HD11 HG21 ' C' ' 13' ' ' ILE . 91.1 mt -63.25 -43.92 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 1.02 110.064 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -61.03 -46.09 92.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.796 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.34 -43.98 92.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.18 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.81 99.62 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . 0.516 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.3 mm-40 -63.11 -43.28 98.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.38 78.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.786 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -60.45 -47.19 87.2 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.516 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 80.8 p -54.85 -44.47 73.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.06 -41.86 98.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.701 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.83 77.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -59.64 -40.41 87.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.532 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.98 93.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.699 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.5 90.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.566 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.45 -45.7 93.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.411 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.47 -41.96 73.69 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.14 -41.89 93.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.969 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.5 94.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.788 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.86 -29.88 69.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.13 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -83.25 -4.92 58.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.474 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.25 18.1 67.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -99.37 79.51 2.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.75 0.31 . . . . 0.0 110.284 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.02 -34.17 77.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.558 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.39 80.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 0.0 110.685 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.7 -35.2 80.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.417 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.73 -48.31 79.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.467 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.67 -42.75 99.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.61 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.29 99.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.742 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.5 mtt -65.68 -42.16 91.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.06 -41.27 97.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.668 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.64 -46.98 85.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.428 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.55 -41.68 99.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.303 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.6 m -60.15 -45.76 91.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.469 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -61.03 -42.42 98.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.369 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 54.3 ttp -61.06 -43.93 98.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.88 98.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.96 -39.56 90.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.729 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.14 -41.91 97.59 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.319 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.58 -40.36 92.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.029 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.02 84.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.447 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.553 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 85.3 t60 -62.31 -38.04 87.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.14 110.322 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.11 -44.19 97.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.311 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.56 -42.92 94.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.023 0.44 . . . . 0.0 109.959 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.443 HE21 HD21 ' C' ' 74' ' ' LEU . 63.5 tp60 -60.07 -43.68 95.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.257 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 15.5 m -56.56 -42.81 79.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 1.03 110.113 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.99 -40.49 93.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.468 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.56 -38.94 84.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.8 -39.48 77.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 1.01 110.84 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.596 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 79.3 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 41.5 mt . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 120.62 0.248 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.47 -46.77 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 130.179 3.392 . . . . 0.0 110.604 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.443 HD21 HE21 ' C' ' 55' ' ' GLN . 78.4 mt -66.52 -40.93 89.42 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.207 -0.451 . . . . 1.03 110.924 178.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 51.6 t -61.07 -47.95 91.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.792 -0.64 . . . . 1.13 110.147 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.595 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 11.8 t-160 -59.1 -46.48 88.19 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.891 -0.324 . . . . 1.96 110.274 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.25 96.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.908 0.385 . . . . 1.01 110.477 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.92 -40.7 98.4 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.241 -0.436 . . . . 1.89 110.232 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 50.1 tp -56.96 -45.02 83.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.444 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.595 ' CE1' ' NE2' ' C' ' 76' ' ' HIS . 58.7 m170 -67.05 -47.08 72.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.323 -0.399 . . . . 0.13 110.69 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.67 -45.8 92.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.8 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -62.67 -43.49 98.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.393 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.5 p -65.01 -48.43 73.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.167 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -61.85 -49.38 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.603 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.46 -48.39 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.484 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.54 -44.96 96.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.2 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.11 -47.95 83.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.97 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -57.69 -45.83 85.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.218 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -61.06 -43.71 98.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.912 0.387 . . . . 0.0 110.153 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.61 -42.89 95.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.084 0.469 . . . . 0.0 109.996 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.91 -42.26 88.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.347 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 78.4 m -57.64 -45.08 85.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.107 0.479 . . . . 0.0 110.027 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.8 -43.71 95.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.459 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 82.2 mt -59.52 -43.67 93.37 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.17 -43.03 95.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.551 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -60.52 -39.85 89.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.721 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.01 -42.23 98.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.91 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 69.9 m80 -59.19 -40.09 84.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.707 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.3 tt0 -62.77 -39.83 95.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.116 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.33 -39.14 93.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.187 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.39 -42.66 96.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' C' ' 99' ' ' GLU . 88.6 tttt -90.58 131.35 36.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.498 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.533 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.512 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.856 0.836 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 143.02 36.72 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.02 156.34 38.61 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.014 -1.054 . . . . 0.0 109.501 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.22 28.51 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.92 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.009 -1.057 . . . . 0.0 108.379 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.3 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.67 136.57 37.0 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 122.183 0.992 . . . . 0.0 110.133 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.96 114.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -107.0 -4.21 19.26 Favored 'General case' 0 C--N 1.265 -3.079 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.898 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.59 141.84 85.63 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 119.739 -1.85 . . . . 0.0 110.59 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -45.54 -47.64 13.02 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 124.771 3.648 . . . . 0.0 114.131 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.553 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 98.3 m-20 -102.11 27.5 6.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 116.066 -2.254 . . . . 0.0 108.702 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.0 -130.17 32.85 Favored Glycine 0 N--CA 1.497 2.731 0 C-N-CA 117.702 -2.19 . . . . 0.0 109.599 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.9 tp -122.87 76.03 1.33 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.954 -1.321 . . . . 0.0 109.495 -176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -81.87 175.82 10.09 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 117.957 -1.497 . . . . 0.0 112.128 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.713 ' HG1' ' H ' ' D' ' 317' ' ' ARG . 47.9 p -24.24 -70.68 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.255 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -176.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.713 ' H ' ' HG1' ' D' ' 316' ' ' THR . 8.1 ttt-85 -44.84 -64.81 0.75 Allowed Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.525 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.69 -32.06 57.99 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.031 1.821 . . . . 0.0 111.466 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.06 -38.83 86.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.223 -0.923 . . . . 0.0 109.489 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.7 72.28 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.89 -39.43 94.17 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.031 -1.468 . . . . 0.0 109.496 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.534 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.7 -45.3 93.4 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.583 1.182 . . . . 0.0 108.681 -177.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.72 -42.19 95.23 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.267 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.639 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -63.89 -40.32 96.24 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.327 -0.858 . . . . 0.0 109.762 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.468 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.74 -39.76 80.18 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.503 -0.748 . . . . 0.0 109.525 177.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.02 91.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.637 -1.29 . . . . 0.0 109.455 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.32 -16.08 42.27 Favored 'General case' 0 N--CA 1.511 2.587 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.01 -10.51 86.22 Favored Glycine 0 N--CA 1.478 1.439 0 O-C-N 119.896 -1.753 . . . . 0.0 109.351 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.416 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.49 143.3 32.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.258 -1.731 . . . . 0.0 110.045 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.57 -30.09 59.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.249 -0.907 . . . . 0.0 112.32 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.55 10.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 119.826 -1.796 . . . . 0.0 112.802 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.36 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 171.248 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.2 mt -126.67 136.61 60.3 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.486 0 CA-C-O 122.211 1.005 . . . . 0.0 109.334 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.411 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.0 m -124.96 143.2 51.01 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-O 123.097 1.427 . . . . 0.0 109.912 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.411 ' N ' HG23 ' D' ' 334' ' ' THR . 84.9 t -108.18 129.91 61.64 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.721 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 173.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.4 119.57 26.48 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.791 -1.193 . . . . 0.0 108.956 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.6 39.25 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.58 -0.7 . . . . 0.0 109.917 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.97 24.32 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.877 -1.139 . . . . 0.0 112.767 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.7 10.98 83.54 Favored Glycine 0 N--CA 1.501 2.976 0 O-C-N 119.921 -1.737 . . . . 0.0 112.5 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.77 158.54 33.06 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-O 123.791 1.758 . . . . 0.0 112.453 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.37 31.41 Favored 'General case' 0 C--N 1.278 -2.534 0 CA-C-N 112.515 -2.13 . . . . 0.0 108.575 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.634 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.64 136.05 48.83 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.06 -6.69 47.27 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.751 -1.218 . . . . 0.0 110.755 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.634 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.58 13.09 31.3 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.664 -1.273 . . . . 0.0 109.384 -177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 69.0 m -133.09 104.23 6.42 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 122.206 1.003 . . . . 0.0 110.12 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.28 -37.96 73.19 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.902 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -58.81 -51.47 69.88 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.554 -1.341 . . . . 0.0 113.062 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.43 70.6 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.597 -1.939 . . . . 0.0 109.206 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.75 -33.77 75.83 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.947 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.596 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.76 -10.34 51.83 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.622 -0.674 . . . . 0.0 109.95 -177.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.2 p -89.81 -7.76 53.63 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 118.129 -1.428 . . . . 0.0 110.884 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.37 159.32 15.31 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.182 -0.949 . . . . 0.0 110.153 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.64 104.84 2.96 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.4 mt -119.56 47.39 1.72 Allowed 'General case' 0 C--N 1.309 -1.166 0 O-C-N 120.64 -1.506 . . . . 0.0 107.417 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 5.0 p -81.46 172.51 13.43 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.211 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.67 140.87 57.31 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.847 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.19 78.78 Favored Glycine 0 N--CA 1.501 2.988 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.328 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.47 135.87 34.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.896 -1.355 . . . . 0.0 110.625 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.7 t -96.47 123.71 48.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.23 160.08 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.388 -1.725 . . . . 0.0 110.606 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.2 m -108.92 128.29 54.8 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.487 -1.383 . . . . 0.0 107.597 175.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.74 121.44 60.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 176.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.29 50.72 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.596 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.44 47.16 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 118.526 -1.27 . . . . 0.0 109.786 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.84 6.45 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 118.529 -1.269 . . . . 0.0 108.049 178.204 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.16 -170.4 40.13 Favored Glycine 0 C--N 1.296 -1.676 0 C-N-CA 118.015 -2.041 . . . . 0.0 110.327 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.34 -40.52 82.39 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-N 114.351 -0.924 . . . . 0.0 112.257 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.08 36.76 3.56 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 115.877 -2.329 . . . . 0.0 108.572 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.56 65.73 Favored 'General case' 0 N--CA 1.522 3.139 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.409 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.96 -45.62 26.92 Favored 'General case' 0 N--CA 1.51 2.54 0 O-C-N 119.566 -1.959 . . . . 0.0 110.923 -176.514 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.7 97.73 Favored 'General case' 0 C--N 1.283 -2.297 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.44 77.85 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 117.486 -1.686 . . . . 0.0 110.04 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.0 t -66.9 -42.14 88.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-O 122.241 1.019 . . . . 0.0 109.282 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.86 -47.96 76.39 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.112 0.958 . . . . 0.0 108.751 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.7 -38.37 76.93 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.727 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.2 mt -75.65 -28.57 58.81 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.345 -1.472 . . . . 0.0 110.9 -174.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.46 70.95 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.26 62.89 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.468 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.3 -45.14 84.47 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.484 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.48 -37.25 85.22 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.866 -1.146 . . . . 0.0 111.53 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.88 61.59 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.056 -1.027 . . . . 0.0 110.242 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.77 -32.28 46.49 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.49 -0.756 . . . . 0.0 111.422 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 125.53 12.53 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.364 2.031 . . . . 0.0 112.846 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.898 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.9 mm-40 . . . . . 0 C--N 1.278 -2.54 0 CA-C-N 111.121 -2.763 . . . . 0.0 110.156 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 N--CA 1.456 -0.163 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -63.68 -49.01 74.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.864 0.364 . . . . 1.94 110.229 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.0 -37.36 84.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.29 -42.32 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.349 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.18 -46.18 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.937 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -59.47 -41.07 88.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.487 -0.56 . . . . 1.04 109.487 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.74 -42.57 97.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.69 -43.35 99.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.199 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.93 -44.22 99.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 1.05 109.803 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.07 -44.25 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.926 -0.579 . . . . 1.02 109.968 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -61.35 -47.21 86.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.777 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.61 -44.04 93.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.997 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.616 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.44 -42.89 98.91 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.04 -42.44 99.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -49.09 78.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.846 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.43 -46.55 89.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.511 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 65.0 m -54.88 -44.12 73.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.06 -42.53 99.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.703 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.92 75.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -59.47 -42.83 92.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.62 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.15 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.716 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.92 85.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.696 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.31 -44.76 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.429 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -55.89 -41.87 75.13 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.44 -40.88 96.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.827 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.55 95.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.774 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.9 -29.07 69.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.093 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.28 -4.81 54.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.47 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.7 14.04 71.26 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.7 79.85 2.74 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 110.294 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -64.71 -34.94 79.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.703 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.12 80.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.083 0.468 . . . . 0.0 110.735 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.47 80.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.321 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.84 81.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.557 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.24 -42.38 99.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.629 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.43 99.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.793 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -65.34 -40.17 93.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.479 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.402 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 91.2 mmm -64.1 -40.6 96.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.91 -43.82 98.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 110.547 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.44 -41.57 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.202 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -60.58 -45.79 92.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.61 ' NH2' HH12 ' A' ' 88' ' ' ARG . 63.1 ttm-85 -60.03 -42.68 94.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.336 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.5 ttp -60.38 -43.04 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.176 0.513 . . . . 0.0 110.633 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.96 98.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.218 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.75 -39.54 91.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.694 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -61.47 -41.88 97.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.288 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.56 -39.93 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.199 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.78 -44.11 78.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.402 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.98 -39.28 89.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.13 110.399 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.66 -44.2 96.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.6 t -64.31 -43.41 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.053 0.454 . . . . 0.0 110.082 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.401 HE22 HD23 ' A' ' 74' ' ' LEU . 66.8 tp60 -59.7 -43.38 94.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.235 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -55.06 -44.59 74.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.047 0.451 . . . . 1.03 110.086 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.95 -41.43 96.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.537 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.85 -38.7 86.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.659 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.436 HD12 HG22 ' A' ' 59' ' ' ILE . 95.7 mt -66.08 -40.43 87.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.52 . . . . 1.01 110.847 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.444 -179.33 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 C--O 1.227 -0.103 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.8 tt -57.28 -44.43 83.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.63 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.77 -46.94 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.9 0.381 . . . . 0.0 110.577 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.401 HD23 HE22 ' A' ' 55' ' ' GLN . 93.9 mt -62.13 -38.81 90.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.016 0.436 . . . . 1.03 110.891 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.01 -46.17 87.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.762 -0.654 . . . . 1.12 110.163 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -58.25 -43.98 88.13 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.348 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.6 98.09 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.794 0.331 . . . . 1.01 110.657 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.568 ' OE1' ' CD2' ' B' ' 76' ' ' HIS . 56.9 tt0 -60.67 -39.58 88.91 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.195 -0.457 . . . . 1.89 110.187 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.9 tp -55.23 -45.8 75.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.462 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.448 ' O ' ' OG1' ' A' ' 83' ' ' THR . 69.7 m-70 -66.46 -46.03 77.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.239 -0.437 . . . . 0.13 110.739 179.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.42 -46.14 91.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.815 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.12 -43.83 98.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.212 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 23.4 p -61.48 -44.8 96.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.102 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.41 -49.57 74.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.495 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.0 ttp -57.34 -49.0 77.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.521 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.46 -44.94 95.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.146 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.17 85.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.846 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.61 HH12 ' NH2' ' A' ' 45' ' ' ARG . 71.5 ttp85 -58.38 -45.96 87.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.183 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -61.42 -43.92 98.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.08 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.73 -41.95 97.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.12 0.485 . . . . 0.0 109.843 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.0 mt -59.21 -41.01 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.251 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.402 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.2 m -56.89 -45.18 82.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.22 -43.85 96.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.568 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.46 -42.98 93.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.402 HD12 HG23 ' A' ' 95' ' ' ILE . 93.3 mt -61.71 -42.69 95.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.5 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.27 -39.32 92.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.86 -41.32 99.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.834 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -59.78 -40.56 88.7 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.98 -39.29 89.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.152 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.31 -35.91 82.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.269 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.449 179.559 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.596 0.236 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -63.88 -49.0 74.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 1.94 110.337 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -66.83 -37.46 84.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.215 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.24 -42.57 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.99 -45.95 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.878 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.79 -40.65 89.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.565 -0.531 . . . . 1.05 109.565 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.22 -42.64 96.22 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.54 -43.29 99.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.788 0.327 . . . . 0.0 110.376 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.417 HD12 HG23 ' B' ' 12' ' ' ILE . 90.9 mt -63.22 -44.35 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 1.08 109.696 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.77 -44.31 98.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 1.02 109.893 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -61.53 -46.72 88.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.858 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.3 t -59.97 -43.99 94.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.082 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.56 -42.51 98.84 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.27 -42.53 99.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.9 79.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.921 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.66 -46.39 90.5 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.4 m -54.86 -43.83 73.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.41 -42.67 98.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.691 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -59.75 -42.76 93.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.692 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.96 91.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.702 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.67 86.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.589 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.2 -45.13 95.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.328 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -55.86 -41.63 74.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.76 -40.95 96.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.882 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.74 95.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.75 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.75 -29.32 70.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.099 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.28 -4.55 53.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.401 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.64 13.62 72.41 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -97.26 80.01 2.87 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.784 0.326 . . . . 0.0 110.358 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -65.03 -34.88 79.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.645 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.45 79.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.052 0.453 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.14 79.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.415 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.96 80.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.512 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.11 -42.58 99.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.81 0.338 . . . . 0.0 110.587 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.81 99.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.1 -40.71 94.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.493 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.402 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 91.2 mmm -63.41 -40.77 98.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.88 -43.84 98.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.16 -41.75 99.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.306 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -60.56 -45.9 92.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.477 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.597 ' NH2' HH12 ' B' ' 88' ' ' ARG . 63.0 ttm-85 -59.81 -43.01 94.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.282 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 51.8 ttp -60.06 -43.18 95.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.249 0.547 . . . . 0.0 110.669 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.77 98.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.192 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.05 -39.79 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.714 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.9 -42.16 97.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.341 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.61 -39.97 94.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.116 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.25 78.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.478 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -61.0 -39.33 89.31 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.13 110.268 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.56 -44.61 95.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.96 -43.64 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.999 0.428 . . . . 0.0 109.945 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.404 HE22 HD23 ' B' ' 74' ' ' LEU . 66.9 tp60 -59.58 -43.3 93.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.264 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -55.29 -44.69 75.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 1.03 109.932 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.78 -41.41 95.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.917 0.389 . . . . 0.0 110.513 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.97 -38.26 85.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.4 -40.34 86.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.085 -0.507 . . . . 1.01 110.692 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.29 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 121.084 0.468 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.74 -43.94 94.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.574 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.13 -46.82 95.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.575 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.404 HD23 HE22 ' B' ' 55' ' ' GLN . 94.9 mt -61.99 -38.36 88.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 1.03 110.957 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.19 -46.22 88.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.825 -0.625 . . . . 1.12 110.293 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.568 ' CD2' ' OE1' ' A' ' 78' ' ' GLN . 59.4 t-80 -58.55 -43.67 89.38 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.809 -0.356 . . . . 2.11 110.251 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.21 97.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.847 0.356 . . . . 1.01 110.404 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.59 ' OE1' ' CD2' ' C' ' 76' ' ' HIS . 57.2 tt0 -61.11 -39.36 89.71 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.89 110.229 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 tp -55.68 -45.51 77.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.401 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.444 ' O ' ' OG1' ' B' ' 83' ' ' THR . 69.5 m-70 -66.62 -45.66 78.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.366 -0.379 . . . . 0.14 110.739 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.69 -46.53 89.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -60.46 -44.1 96.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.245 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 22.6 p -61.41 -44.68 96.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.49 -49.27 76.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.599 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 64.9 ttp -57.62 -48.77 78.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.429 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.67 -44.65 96.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.058 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.16 -46.49 88.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.879 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.597 HH12 ' NH2' ' B' ' 45' ' ' ARG . 71.8 ttp85 -58.67 -46.25 87.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.279 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -61.21 -43.89 98.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.184 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.82 -41.82 97.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.147 0.499 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.27 -40.92 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.237 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.402 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 17.7 m -56.91 -45.25 82.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.07 0.462 . . . . 0.0 109.889 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.33 -43.78 96.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.471 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.28 -43.37 92.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.41 -42.95 95.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.499 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -61.8 -40.01 93.74 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.3 -41.52 98.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.869 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -59.64 -40.44 87.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.25 -39.22 89.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.123 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.49 -35.54 81.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.189 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.363 179.751 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.584 0.231 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -63.81 -49.25 73.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.825 0.345 . . . . 1.94 110.36 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -66.6 -37.5 85.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.34 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.13 -42.37 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.406 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.23 -45.98 95.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.982 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.72 -40.92 89.59 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.59 -0.522 . . . . 1.05 109.59 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.71 96.81 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.31 -43.46 98.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 0.0 110.361 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.08 -44.3 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 1.09 109.687 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.79 -44.19 98.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 1.02 110.013 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -61.51 -46.79 88.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.793 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.9 t -59.91 -44.12 94.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.183 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.55 -42.41 98.89 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -63.26 -42.78 99.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.97 78.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.778 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.69 -46.61 89.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.1 m -54.54 -44.11 72.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.23 -42.73 99.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.705 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.66 76.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.99 -42.86 95.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.551 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.17 91.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.722 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.01 86.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.632 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.91 -45.02 96.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.369 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -55.85 -41.72 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.84 -40.26 94.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.897 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.76 98.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.82 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.65 -29.09 69.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.046 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.23 -4.8 54.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.414 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.79 13.98 71.15 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -97.87 79.94 2.7 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.29 . . . . 0.0 110.286 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -64.99 -34.81 79.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.579 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.38 79.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.022 0.439 . . . . 0.0 110.665 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.73 -35.07 79.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.395 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.11 79.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.491 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.72 -43.02 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.615 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.74 99.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.711 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.8 mmm -64.97 -40.8 95.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.33 -40.97 98.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.74 -44.03 97.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.452 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.98 -41.68 99.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.306 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -60.78 -45.75 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.565 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.598 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.9 ttm-85 -60.02 -42.67 94.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.33 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 52.6 ttp -60.37 -43.08 96.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.349 0.595 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.15 98.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.349 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.69 -39.79 91.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.691 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -61.16 -42.11 97.96 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.402 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -64.25 -40.17 95.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.001 0.429 . . . . 0.0 110.038 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.23 79.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.421 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.91 -39.46 89.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.056 -0.52 . . . . 0.14 110.328 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.91 -44.13 97.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.317 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.07 -43.49 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.981 0.419 . . . . 0.0 110.017 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -59.75 -43.37 94.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -55.07 -44.73 75.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.408 . . . . 1.03 110.167 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.86 -41.2 95.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.886 0.374 . . . . 0.0 110.462 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.02 -38.57 86.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.409 HD12 HG22 ' C' ' 59' ' ' ILE . 95.5 mt -66.25 -40.18 86.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.975 -0.557 . . . . 1.01 110.829 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.2 mm-40 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 tt . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.624 0.249 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.03 -46.65 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 130.1 3.36 . . . . 0.0 110.593 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.59 -37.72 88.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.057 0.456 . . . . 1.03 110.979 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.89 -46.63 91.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.793 -0.639 . . . . 1.13 110.169 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.59 ' CD2' ' OE1' ' B' ' 78' ' ' GLN . 59.7 t-80 -58.57 -44.03 89.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.895 -0.322 . . . . 1.96 110.316 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.04 98.38 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.932 0.396 . . . . 1.01 110.514 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.13 -39.81 91.43 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.159 -0.473 . . . . 1.89 110.236 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 39.7 tp -55.18 -45.94 75.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.485 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.443 ' O ' ' OG1' ' C' ' 83' ' ' THR . 70.0 m-70 -66.36 -45.81 78.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.364 -0.38 . . . . 0.13 110.742 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.41 -46.54 89.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.816 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -60.83 -43.29 98.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.368 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 22.6 p -62.13 -44.69 96.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.203 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -62.3 -49.5 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.24 -49.21 76.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.767 0.318 . . . . 0.0 110.514 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.46 -44.35 95.94 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.156 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.44 88.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.945 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.598 HH12 ' NH2' ' C' ' 45' ' ' ARG . 71.7 ttp85 -58.89 -46.12 88.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.189 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.04 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.164 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.57 -41.88 98.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.113 0.482 . . . . 0.0 110.026 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.0 -41.16 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.386 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 17.0 m -56.7 -45.39 81.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.096 0.474 . . . . 0.0 109.955 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.26 -43.7 97.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.533 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.21 -43.03 92.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.79 -42.78 95.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.531 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -61.79 -40.0 93.69 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.33 -41.69 98.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.856 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -59.39 -40.73 87.49 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.05 -39.42 89.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.12 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.17 -35.57 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.256 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt -81.41 -3.28 52.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.32 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 57.13 22.96 8.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.539 179.725 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.52 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.865 0.841 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.79 143.02 36.68 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 178.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.26 38.51 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.956 -1.09 . . . . 0.0 109.545 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.3 mm-40 -152.1 149.24 28.59 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.37 18.93 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.038 -1.039 . . . . 0.0 108.416 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.86 144.27 19.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.66 136.56 37.02 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 122.153 0.978 . . . . 0.0 110.155 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.95 114.29 24.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.91 -4.28 19.33 Favored 'General case' 0 C--N 1.265 -3.1 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.897 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.87 85.89 Favored Pre-proline 0 N--CA 1.499 2.0 0 O-C-N 119.633 -1.917 . . . . 0.0 110.614 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -45.53 -47.73 12.89 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 124.776 3.651 . . . . 0.0 114.085 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -102.1 27.57 6.52 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 116.075 -2.25 . . . . 0.0 108.837 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.85 -126.35 26.62 Favored Glycine 0 N--CA 1.496 2.691 0 C-N-CA 117.653 -2.213 . . . . 0.0 109.597 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.54 77.28 1.78 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.923 -1.339 . . . . 0.0 109.511 -176.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.24 176.97 8.02 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 117.852 -1.539 . . . . 0.0 112.109 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.503 ' HG1' ' N ' ' D' ' 317' ' ' ARG . 13.5 p -21.76 -72.05 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.616 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.7 ttt-85 -44.4 -66.3 0.49 Allowed Pre-proline 0 N--CA 1.493 1.714 0 C-N-CA 120.136 -0.626 . . . . 0.0 112.542 -177.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.21 -32.19 62.96 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.55 1.5 . . . . 0.0 111.522 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.81 86.73 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.201 -0.937 . . . . 0.0 109.543 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.88 -39.75 72.67 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.91 -39.45 94.19 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 118.072 -1.451 . . . . 0.0 109.488 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.534 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.66 -45.38 93.09 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 122.607 1.194 . . . . 0.0 108.687 -177.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . 0.606 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.6 t -62.61 -42.22 95.14 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.693 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -63.97 -40.19 95.83 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.27 -0.894 . . . . 0.0 109.742 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.465 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.84 -39.62 79.83 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.401 -0.812 . . . . 0.0 109.541 178.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.02 91.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.611 -1.305 . . . . 0.0 109.44 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . 0.606 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.8 mttp -61.33 -16.22 43.77 Favored 'General case' 0 N--CA 1.512 2.637 0 O-C-N 121.321 -0.862 . . . . 0.0 113.278 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.54 86.14 Favored Glycine 0 N--CA 1.479 1.551 0 O-C-N 119.889 -1.757 . . . . 0.0 109.263 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.416 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.46 143.34 32.84 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.313 -1.698 . . . . 0.0 110.015 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.59 -30.12 59.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.234 -0.916 . . . . 0.0 112.365 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.67 158.49 10.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.791 -1.818 . . . . 0.0 112.821 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.2 35.35 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 102.888 -3.004 . . . . 0.0 102.888 171.2 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.7 136.64 60.21 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.424 0 CA-C-O 122.25 1.024 . . . . 0.0 109.258 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.418 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.98 143.18 51.03 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-O 123.121 1.438 . . . . 0.0 109.987 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.418 ' N ' HG23 ' D' ' 334' ' ' THR . 85.9 t -108.12 130.0 61.39 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 173.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.9 m -127.56 119.58 26.3 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.891 -1.131 . . . . 0.0 108.901 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.58 39.2 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.878 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.8 38.9 24.41 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.914 -1.116 . . . . 0.0 112.784 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 11.09 83.46 Favored Glycine 0 N--CA 1.503 3.11 0 O-C-N 119.968 -1.708 . . . . 0.0 112.526 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.92 136.23 54.59 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.77 158.51 33.15 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 123.786 1.755 . . . . 0.0 112.395 -175.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.36 31.33 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 112.457 -2.156 . . . . 0.0 108.592 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.639 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.53 136.01 49.01 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 173.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.05 -6.77 47.8 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.718 -1.239 . . . . 0.0 110.699 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.639 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.5 12.92 31.71 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.669 -1.269 . . . . 0.0 109.353 -177.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 67.1 m -133.05 104.12 6.37 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.151 0.977 . . . . 0.0 110.179 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.29 -37.77 72.95 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.941 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -59.0 -51.34 70.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.583 -1.323 . . . . 0.0 113.03 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.38 70.4 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 119.54 -1.975 . . . . 0.0 109.196 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.82 -33.73 75.84 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.959 -1.096 . . . . 0.0 109.948 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.509 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.65 -10.52 52.99 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.649 -0.657 . . . . 0.0 109.923 -177.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.6 p -89.72 -7.71 53.93 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 118.074 -1.451 . . . . 0.0 110.947 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.42 159.34 15.29 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.268 -0.895 . . . . 0.0 110.159 -178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.9 2.97 Favored Glycine 0 N--CA 1.484 1.861 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.57 47.3 1.74 Allowed 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.709 -1.465 . . . . 0.0 107.413 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 80.8 p -81.44 172.55 13.39 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 118.776 -1.169 . . . . 0.0 109.223 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.73 140.92 57.37 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.825 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.49 -3.2 78.77 Favored Glycine 0 N--CA 1.5 2.932 0 C-N-CA 120.031 -1.081 . . . . 0.0 111.368 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.44 135.91 34.07 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.849 -1.383 . . . . 0.0 110.625 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.58 123.69 48.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.11 160.05 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 C-N-CA 117.423 -1.711 . . . . 0.0 110.631 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.0 m -108.87 128.41 54.89 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 120.544 -1.348 . . . . 0.0 107.603 175.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.6 mt -107.87 121.41 60.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 176.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 364' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.61 147.23 50.71 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.722 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.81 6.43 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 118.6 -1.24 . . . . 0.0 108.029 178.151 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.3 40.13 Favored Glycine 0 C--N 1.295 -1.714 0 C-N-CA 118.007 -2.044 . . . . 0.0 110.385 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.35 -40.63 82.71 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.43 -0.885 . . . . 0.0 112.199 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.06 36.76 3.56 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 115.878 -2.329 . . . . 0.0 108.574 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.55 65.77 Favored 'General case' 0 N--CA 1.522 3.162 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -174.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -45.61 27.53 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 119.577 -1.952 . . . . 0.0 110.972 -176.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.769 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.75 97.77 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -58.99 -49.6 77.27 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.47 -1.692 . . . . 0.0 110.09 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.79 -42.22 88.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-O 122.201 1.0 . . . . 0.0 109.297 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.88 -47.88 76.57 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 122.086 0.946 . . . . 0.0 108.71 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.769 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.85 -38.35 76.46 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.684 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.58 -28.6 59.01 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.414 -1.429 . . . . 0.0 110.866 -174.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -39.57 71.54 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.457 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.86 -49.2 63.42 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.465 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.29 -45.23 84.31 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.976 -1.089 . . . . 0.0 110.538 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.28 85.12 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.862 -1.149 . . . . 0.0 111.535 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.85 61.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.116 -0.99 . . . . 0.0 110.281 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.83 -32.29 46.12 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.583 -0.698 . . . . 0.0 111.364 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.46 12.29 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 124.276 1.989 . . . . 0.0 112.946 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.897 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.4 mt-10 . . . . . 0 C--N 1.276 -2.591 0 CA-C-N 111.172 -2.74 . . . . 0.0 110.121 -177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -62.9 -50.13 72.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.917 0.389 . . . . 1.94 110.365 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.37 -36.39 79.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.243 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -64.72 -43.31 96.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.79 -44.56 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.895 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.9 mtp -58.75 -41.24 86.06 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.516 -0.549 . . . . 1.04 109.516 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.63 96.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.264 -1.135 . . . . 0.0 110.264 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.97 -43.14 99.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.207 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.12 -44.44 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.004 -0.544 . . . . 1.05 109.773 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.52 -43.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 1.02 109.983 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.13 -46.8 89.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.784 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -59.9 -44.46 94.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.924 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.569 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -62.14 -42.55 99.73 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -63.28 -42.25 99.07 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -49.87 75.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.47 -46.3 90.58 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -54.33 -44.18 71.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.84 -42.43 99.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.636 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.91 72.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.35 -42.95 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.596 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.72 95.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.717 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.39 85.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.633 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.86 -45.39 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.499 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.98 -42.73 76.79 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -60.95 -41.71 96.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.94 95.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.74 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.79 -29.89 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.171 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -82.75 -4.35 57.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.486 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.56 17.47 70.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -98.45 79.62 2.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.783 0.325 . . . . 0.0 110.303 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -64.58 -34.11 77.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.727 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.49 78.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.027 0.441 . . . . 0.0 110.664 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.07 83.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.64 -47.84 81.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.613 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.88 -43.32 99.08 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.666 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.77 98.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.1 mmm -65.98 -40.45 91.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.79 -41.19 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.29 -43.32 99.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.94 -40.24 97.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.222 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t -61.59 -46.82 88.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.559 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -59.13 -43.12 91.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.37 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.532 ' SD ' ' C ' ' A' ' 46' ' ' MET . 18.7 tmm? -60.12 -43.96 95.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.174 0.511 . . . . 0.0 110.576 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.54 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.187 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.37 -40.3 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.676 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 52.4 t-20 -60.87 -42.21 97.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.237 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.07 -39.81 93.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.191 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -46.05 74.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.486 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.55 -39.68 88.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.044 -0.525 . . . . 0.13 110.412 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.16 -43.76 95.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.326 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.64 -43.51 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.035 0.445 . . . . 0.0 110.083 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -59.52 -44.16 93.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.313 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -57.13 -42.38 80.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 1.03 110.033 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.446 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.64 -30.79 71.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.66 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -85.71 -32.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 1.01 110.848 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.456 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.431 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 83.3 p . . . . . 0 C--O 1.226 -0.136 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.11 -42.11 85.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.604 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.9 -46.04 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.956 0.408 . . . . 0.0 110.578 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' A' ' 71' ' ' SER . 84.2 mt -64.46 -42.51 95.91 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.187 -0.46 . . . . 1.03 110.924 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.54 -46.51 92.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.76 -0.654 . . . . 1.12 110.207 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -58.33 -45.1 88.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.285 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.48 87.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.512 -0.313 . . . . 1.01 110.605 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -62.16 -40.96 97.75 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.207 -0.451 . . . . 1.89 110.213 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.5 tp -55.02 -47.06 75.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.421 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -68.6 -45.53 71.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.285 -0.416 . . . . 0.13 110.717 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.95 -49.31 76.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.811 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.23 -44.28 96.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.209 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.7 p -61.95 -45.32 94.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.124 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -62.78 -47.49 83.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.458 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.4 tpp -59.05 -48.15 82.63 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.551 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.63 -45.04 95.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.127 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.18 -47.17 81.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.847 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -59.36 -44.71 92.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.191 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.62 -46.58 89.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.129 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.09 -42.12 94.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.247 0.546 . . . . 0.0 109.892 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.16 -41.97 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.27 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.1 m -57.29 -45.91 83.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.469 . . . . 0.0 109.881 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.01 -42.77 99.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.56 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 13.7 mt -60.06 -44.05 94.98 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.4 -43.25 96.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.562 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -59.08 -39.54 82.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.705 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.461 ' CD2' ' NE2' ' B' ' 98' ' ' HIS . 36.5 mt -61.68 -41.75 97.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.916 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 74.3 m80 -59.01 -39.96 83.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.61 -41.69 97.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.179 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.19 -37.63 88.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.801 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.601 0.239 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.83 -50.11 72.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 1.94 110.386 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.25 -36.34 79.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.218 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.13 -43.27 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 69.1 t -60.73 -44.4 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.933 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.1 mtp -59.04 -40.82 86.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.611 -0.514 . . . . 1.05 109.611 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.44 -42.2 96.0 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.101 -1.199 . . . . 0.0 110.101 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.24 -43.25 98.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.827 0.346 . . . . 0.0 110.325 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.409 HD13 HG21 ' B' ' 12' ' ' ILE . 95.2 mt -63.08 -44.5 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 1.08 109.71 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.33 -43.94 98.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 1.02 109.936 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -60.7 -46.59 89.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.868 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.5 t -59.93 -44.58 94.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.131 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.57 99.77 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -63.85 -42.34 97.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -49.96 75.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.914 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.2 -46.33 90.09 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.2 m -54.56 -43.8 72.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.94 -42.43 99.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.727 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.38 -50.74 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.47 -42.9 93.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.704 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.77 95.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.744 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.18 85.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.656 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.97 -45.7 93.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.303 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.97 -42.46 76.29 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -61.23 -41.43 96.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.9 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.68 96.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.666 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.76 -30.14 69.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.057 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.65 -4.61 58.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.83 17.4 70.34 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.43 79.77 2.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.307 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.98 -33.84 77.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.573 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.32 -48.47 77.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.034 0.445 . . . . 0.0 110.781 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.67 81.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.368 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.12 80.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.566 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.73 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.62 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.09 98.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.686 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 84.5 mmm -65.74 -40.45 92.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.69 -41.29 99.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.441 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.03 -40.36 97.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.257 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 42.0 t -61.37 -46.66 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.487 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.49 -42.99 93.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.269 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' B' ' 46' ' ' MET . 18.6 tmm? -60.09 -43.68 95.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.285 0.564 . . . . 0.0 110.613 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.79 97.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.12 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.2 -40.39 94.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.772 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -60.61 -42.21 96.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.341 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.23 -39.73 93.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.173 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.53 -45.76 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.489 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.83 -39.68 89.96 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.13 110.297 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.1 mt -60.25 -43.89 95.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.375 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.55 -43.6 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.986 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -59.46 -43.97 93.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.216 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -57.6 -41.99 82.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 1.03 109.923 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.73 -39.49 94.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 110.593 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.98 -30.76 71.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.691 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.9 mt -85.46 -32.38 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.09 -0.505 . . . . 1.01 110.789 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.461 0.075 0 CA-C-O 121.033 0.444 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 39.6 mt -60.02 -42.22 93.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.583 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.72 -45.53 94.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.609 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.61 -42.3 95.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.09 0.471 . . . . 1.03 110.93 -178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.57 -46.61 92.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.785 -0.643 . . . . 1.12 110.286 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -58.25 -45.7 87.33 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.82 -0.352 . . . . 2.11 110.32 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.96 91.8 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.903 0.383 . . . . 1.01 110.395 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -62.71 -40.83 98.39 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.079 -0.51 . . . . 1.89 110.217 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 37.6 tp -55.35 -47.01 76.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -68.49 -45.66 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.302 -0.408 . . . . 0.14 110.747 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.93 -49.54 75.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.03 -44.25 97.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.238 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.6 p -62.09 -45.11 94.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.177 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -62.79 -47.31 84.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.581 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.2 tpp -59.35 -48.24 82.38 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.455 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.35 -45.28 95.05 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.101 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.19 80.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.911 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -59.65 -44.57 93.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.248 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -60.71 -46.59 89.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.154 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.01 -41.68 95.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.156 0.503 . . . . 0.0 110.064 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.73 -41.99 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.141 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.0 m -57.03 -46.0 82.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.075 0.464 . . . . 0.0 109.921 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.479 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.561 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.0 mt -60.29 -43.76 95.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.89 -43.13 97.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.572 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.21 -39.49 82.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.748 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.478 ' CD2' ' NE2' ' C' ' 98' ' ' HIS . 34.7 mt -61.64 -41.81 98.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.845 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.561 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 74.3 m80 -58.8 -40.36 83.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.759 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.43 -41.16 96.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.122 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.87 -37.57 87.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.176 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 179.628 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.55 -50.51 71.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.796 0.331 . . . . 1.94 110.387 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.01 -36.84 80.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.42 -43.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.349 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.91 -44.46 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.968 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 87.5 mtp -58.84 -40.81 85.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.545 -0.539 . . . . 1.05 109.545 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.17 -42.67 96.3 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.95 -42.81 99.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.939 0.399 . . . . 0.0 110.425 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.37 -44.57 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.968 -0.56 . . . . 1.09 109.717 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.18 -43.73 98.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 1.02 110.075 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.13 -46.67 89.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.812 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 35.1 t -59.86 -44.55 94.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.189 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.96 99.72 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -63.74 -42.42 97.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -50.27 74.38 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.92 -46.77 88.3 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -54.22 -44.03 71.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.67 -42.35 99.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.721 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.44 -51.12 71.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.24 -42.9 92.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.493 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.7 95.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.712 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.68 -44.02 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.502 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.37 -45.36 94.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.434 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.95 -43.12 77.17 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -60.79 -41.33 95.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.894 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.59 96.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.843 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.95 -29.93 69.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.11 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.56 -4.58 57.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.447 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.04 17.01 70.75 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.22 79.73 2.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.713 0.292 . . . . 0.0 110.253 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -65.03 -33.94 77.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.629 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.31 -48.26 78.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.015 0.436 . . . . 0.0 110.651 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.75 81.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.436 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.51 82.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.49 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.22 -43.51 98.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.597 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.44 98.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 84.2 mmm -65.37 -40.85 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.564 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.47 -41.23 98.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.668 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -61.38 -43.07 99.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.445 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.18 -40.11 96.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 43.5 t -61.82 -46.2 90.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.518 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.403 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 75.9 ttt180 -59.81 -42.7 94.04 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.311 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' MET . . . . . 0.541 ' SD ' ' C ' ' C' ' 46' ' ' MET . 18.6 tmm? -60.62 -43.39 97.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 110.554 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.96 98.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.344 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.23 -40.42 94.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 52.0 t-20 -60.78 -42.45 97.53 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.317 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.87 -40.12 94.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.017 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.23 75.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.401 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.44 -39.66 88.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.14 110.307 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.53 -43.43 97.15 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.35 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.77 -43.67 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.013 0.435 . . . . 0.0 109.946 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -59.43 -44.21 92.95 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.205 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -57.21 -42.21 80.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 1.03 110.203 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.73 -39.11 93.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.99 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.772 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -85.45 -32.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.935 -0.575 . . . . 1.01 110.864 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 CA--C 1.519 -0.231 0 CA-C-O 120.591 0.234 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 57.0 t -65.42 -46.4 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 130.131 3.372 . . . . 0.0 110.596 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.46 -42.26 87.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.071 0.462 . . . . 1.03 110.975 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.72 -46.88 92.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.792 -0.64 . . . . 1.13 110.19 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -58.38 -45.61 87.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.727 0.299 . . . . 1.96 110.338 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.05 90.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.924 0.392 . . . . 1.01 110.424 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -62.57 -40.97 98.55 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.196 -0.456 . . . . 1.89 110.235 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 37.5 tp -55.13 -47.12 75.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.452 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -68.64 -45.61 71.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.347 -0.388 . . . . 0.13 110.759 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.8 -49.39 76.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.819 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.29 -44.16 97.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.386 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.9 p -62.05 -45.17 94.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.198 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.76 -47.54 83.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 9.1 tpp -58.88 -48.3 81.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.534 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.41 -45.39 94.53 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.134 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.63 -47.4 79.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.987 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.403 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 78.7 ttt-85 -59.42 -44.79 92.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.21 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.22 -46.66 88.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.234 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.29 -41.87 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.119 0.485 . . . . 0.0 110.008 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.38 -41.77 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.325 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.0 m -57.35 -45.93 83.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.146 0.498 . . . . 0.0 109.975 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.93 -42.58 99.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.491 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.559 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.3 mt -60.36 -43.82 96.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.48 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.86 -43.06 96.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.504 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.0 -39.66 82.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.098 0.475 . . . . 0.0 109.725 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 mt -61.49 -41.59 97.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.938 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.559 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 74.4 m80 -59.36 -39.86 84.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' C' ' 103' ' ' ALA . 83.3 tt0 -61.8 -41.21 97.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.048 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -63.59 -37.88 89.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.196 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.53 -41.1 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.293 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -91.17 -7.67 50.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.517 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 121.881 0.848 . . . . 0.0 108.977 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.81 143.01 36.65 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.33 38.61 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.973 -1.08 . . . . 0.0 109.573 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.17 149.14 28.43 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.3 19.0 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.095 -1.003 . . . . 0.0 108.348 178.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.85 144.38 19.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.68 136.57 37.03 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.14 0.971 . . . . 0.0 110.069 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.32 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 177.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.9 -4.27 19.35 Favored 'General case' 0 C--N 1.265 -3.099 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.896 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.56 141.88 85.75 Favored Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 119.67 -1.894 . . . . 0.0 110.632 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.5 -47.63 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 124.754 3.636 . . . . 0.0 114.158 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -102.17 27.52 6.6 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 116.07 -2.252 . . . . 0.0 108.768 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 65.94 -127.27 30.29 Favored Glycine 0 N--CA 1.497 2.721 0 C-N-CA 117.725 -2.178 . . . . 0.0 109.543 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 7.0 tp -127.07 79.1 1.86 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.983 -1.304 . . . . 0.0 109.463 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.96 173.98 8.99 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 117.815 -1.554 . . . . 0.0 112.182 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 6.8 p -22.57 -68.6 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -176.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.569 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.0 ttt-85 -45.75 -66.34 0.52 Allowed Pre-proline 0 N--CA 1.493 1.7 0 C-N-CA 120.125 -0.63 . . . . 0.0 112.456 -177.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' D' ' 317' ' ' ARG . 20.8 Cg_endo -64.06 -32.18 64.61 Favored 'Trans proline' 0 C--N 1.315 -1.212 0 C-N-CA 121.821 1.681 . . . . 0.0 111.497 176.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.88 86.93 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.253 -0.904 . . . . 0.0 109.451 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.99 -39.67 72.33 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.97 -39.41 94.06 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 118.013 -1.475 . . . . 0.0 109.515 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.541 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.67 -45.3 93.43 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 122.575 1.179 . . . . 0.0 108.723 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.62 -42.27 95.35 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.679 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -63.84 -40.29 96.24 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.227 -0.921 . . . . 0.0 109.795 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.468 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.75 -39.78 80.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.501 -0.749 . . . . 0.0 109.536 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.94 91.74 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.658 -1.276 . . . . 0.0 109.4 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.35 -16.19 43.65 Favored 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.99 -10.49 86.23 Favored Glycine 0 N--CA 1.479 1.549 0 O-C-N 119.941 -1.724 . . . . 0.0 109.336 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.415 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.28 32.93 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.191 -1.77 . . . . 0.0 110.044 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.56 -30.03 59.54 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.18 -0.95 . . . . 0.0 112.31 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.54 10.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 119.8 -1.813 . . . . 0.0 112.819 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.29 35.41 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 171.27 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.67 136.64 60.23 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.435 0 CA-C-O 122.203 1.001 . . . . 0.0 109.333 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.417 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -124.91 143.17 51.0 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 123.042 1.401 . . . . 0.0 109.991 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.417 ' N ' HG23 ' D' ' 334' ' ' THR . 86.2 t -108.13 129.95 61.5 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.733 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 173.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 336' ' ' THR . . . . . . . . . . . . . 70.3 m -127.45 119.5 26.27 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.84 -1.162 . . . . 0.0 108.951 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.2 t -122.46 122.65 39.47 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.935 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.67 38.99 24.2 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.946 -1.096 . . . . 0.0 112.801 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 10.98 83.59 Favored Glycine 0 N--CA 1.5 2.939 0 O-C-N 119.873 -1.767 . . . . 0.0 112.585 177.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.85 136.29 54.54 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.274 -2.121 . . . . 0.0 105.274 177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.8 158.54 33.12 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.748 1.737 . . . . 0.0 112.492 -176.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.44 31.47 Favored 'General case' 0 C--N 1.278 -2.515 0 CA-C-N 112.492 -2.14 . . . . 0.0 108.548 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.642 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.59 135.94 48.85 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 105.612 -1.995 . . . . 0.0 105.612 173.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.9 -6.81 47.61 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.769 -1.207 . . . . 0.0 110.785 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.642 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.5 12.91 31.72 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.603 -1.31 . . . . 0.0 109.332 -177.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 98.5 p -133.07 104.19 6.4 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.185 0.993 . . . . 0.0 110.167 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.19 -37.92 72.89 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.992 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -58.96 -51.33 70.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.602 -1.312 . . . . 0.0 113.017 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.05 -32.49 70.64 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 119.575 -1.953 . . . . 0.0 109.165 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.69 75.72 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.971 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.547 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.65 -10.46 52.45 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.615 -0.678 . . . . 0.0 109.989 -177.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 40.2 p -89.76 -7.74 53.79 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 118.087 -1.445 . . . . 0.0 110.982 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.3 159.35 15.31 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.243 -0.91 . . . . 0.0 110.201 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.87 2.97 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 106.931 -2.468 . . . . 0.0 106.931 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.1 mt -119.64 47.38 1.73 Allowed 'General case' 0 C--N 1.31 -1.134 0 O-C-N 120.666 -1.491 . . . . 0.0 107.42 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 47.9 p -81.45 172.52 13.42 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.168 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.69 140.96 57.31 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.801 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.22 79.09 Favored Glycine 0 N--CA 1.501 3.001 0 C-N-CA 119.953 -1.118 . . . . 0.0 111.348 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.45 135.96 34.04 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.884 -1.362 . . . . 0.0 110.605 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.63 123.75 49.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.2 m -112.24 160.04 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 117.4 -1.72 . . . . 0.0 110.59 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 90.3 m -108.84 128.29 54.77 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.517 -1.364 . . . . 0.0 107.631 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.82 121.42 60.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 176.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.22 50.7 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.547 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.39 47.24 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.825 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.517 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.14 110.8 6.44 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 118.588 -1.245 . . . . 0.0 107.996 178.214 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.2 -170.26 40.1 Favored Glycine 0 C--N 1.295 -1.696 0 C-N-CA 118.011 -2.042 . . . . 0.0 110.328 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.64 82.8 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-N 114.338 -0.931 . . . . 0.0 112.201 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.0 36.67 3.58 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 115.946 -2.302 . . . . 0.0 108.614 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.34 -33.52 65.71 Favored 'General case' 0 N--CA 1.521 3.108 0 N-CA-C 116.831 2.159 . . . . 0.0 116.831 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -45.56 27.43 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 119.583 -1.948 . . . . 0.0 110.984 -176.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.772 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.7 -40.6 97.18 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.47 77.74 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 117.437 -1.705 . . . . 0.0 110.078 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.0 t -66.83 -42.19 88.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-O 122.279 1.038 . . . . 0.0 109.289 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.93 76.45 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 122.119 0.961 . . . . 0.0 108.732 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.772 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.82 -38.35 76.54 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.657 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.541 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.4 mt -75.52 -28.71 59.21 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.347 -1.471 . . . . 0.0 110.887 -174.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -39.54 71.56 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.408 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.86 -49.29 62.93 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.468 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.27 -45.22 84.27 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.512 177.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.4 -37.32 85.31 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.838 -1.164 . . . . 0.0 111.517 -177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.82 61.68 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.133 -0.979 . . . . 0.0 110.252 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.92 -32.3 45.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.492 -0.755 . . . . 0.0 111.346 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.46 12.26 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 124.289 1.995 . . . . 0.0 112.847 178.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.896 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.7 tt0 . . . . . 0 C--N 1.276 -2.589 0 CA-C-N 111.136 -2.757 . . . . 0.0 110.136 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.63 -47.43 78.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.848 0.356 . . . . 1.94 110.293 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.91 -35.88 79.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.245 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.65 -42.97 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.386 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.88 -43.94 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.92 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.2 -42.45 90.94 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.512 -0.551 . . . . 1.04 109.512 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.4 -41.86 97.9 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.38 -42.34 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.154 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.0 -44.21 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 1.05 109.748 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.443 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 90.9 mt -63.9 -44.09 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.992 -0.549 . . . . 1.02 109.995 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -61.98 -45.76 92.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.784 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.29 -44.59 95.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.931 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.64 -43.38 99.07 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.48 -43.5 97.11 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -50.17 74.48 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.889 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.631 HH21 ' HH ' ' A' ' 23' ' ' TYR . 76.3 ttt180 -59.61 -45.94 90.44 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -55.68 -43.99 76.88 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.91 -43.15 96.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.68 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.87 72.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.631 ' HH ' HH21 ' A' ' 19' ' ' ARG . 8.0 m-85 -59.26 -40.86 87.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.622 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.64 88.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.763 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.35 86.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.717 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.28 -45.36 94.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.505 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.69 -41.72 74.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.62 -41.91 98.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.765 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.76 92.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.719 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.56 -29.04 69.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.152 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -81.14 -5.04 57.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.482 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.84 15.36 67.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.7 79.64 2.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.744 0.306 . . . . 0.0 110.267 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.56 -34.47 78.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.629 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.35 84.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.007 0.432 . . . . 0.0 110.742 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.94 -35.47 80.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.377 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.63 82.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.573 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -62.44 -42.48 99.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.665 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.22 97.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.738 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.55 -42.0 92.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.519 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.447 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 74.9 mtm -64.73 -40.45 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.635 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -61.51 -47.94 83.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.013 0.435 . . . . 0.0 110.558 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.42 -41.11 98.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.219 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.28 -46.74 89.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.539 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -60.43 -42.99 97.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.326 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.81 -43.62 97.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.243 0.544 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.223 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.43 -39.52 92.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.59 -43.23 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.236 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.43 -39.86 92.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.228 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.9 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.47 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -61.13 -39.39 89.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.019 -0.537 . . . . 0.13 110.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.9 mt -60.21 -43.87 95.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.296 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.77 -42.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.973 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.408 HE21 HD23 ' A' ' 74' ' ' LEU . 68.9 tp60 -60.83 -43.87 97.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.247 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.5 m -56.46 -43.32 79.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 1.03 110.045 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.15 -39.37 92.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.49 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.93 -31.28 72.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.663 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 59' ' ' ILE . 96.6 mt -84.0 -33.38 9.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 1.01 110.871 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.476 -179.813 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.583 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 95.7 p . . . . . 0 C--O 1.227 -0.118 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.18 -44.47 83.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.665 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.46 -48.02 86.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.865 0.364 . . . . 0.0 110.553 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.583 ' H ' ' HG ' ' A' ' 71' ' ' SER . 97.4 mt -64.07 -42.16 97.08 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.228 -0.442 . . . . 1.03 110.928 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.5 -47.63 90.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.726 -0.67 . . . . 1.12 110.103 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -58.16 -46.95 84.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.799 0.333 . . . . 0.0 110.347 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.89 96.1 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.75 0.31 . . . . 1.01 110.612 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.416 HE21 ' HG2' ' A' ' 82' ' ' MET . 61.3 tp60 -62.62 -41.47 99.02 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.248 -0.433 . . . . 1.89 110.166 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.8 tp -56.48 -46.75 80.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.417 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.486 ' O ' ' OG1' ' A' ' 83' ' ' THR . 47.1 m80 -67.36 -46.17 74.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.302 -0.408 . . . . 0.13 110.665 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.72 -46.21 91.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.793 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.416 ' HG2' HE21 ' A' ' 78' ' ' GLN . 87.5 mmm -61.04 -42.48 98.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.182 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 21.8 p -62.84 -45.15 93.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.125 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -62.57 -49.12 76.55 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.449 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.82 -48.26 80.26 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.719 0.295 . . . . 0.0 110.58 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.25 -45.19 95.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 110.068 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.29 83.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.869 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -57.8 -45.87 85.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.143 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.583 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 98.1 mt-10 -62.1 -43.51 98.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.086 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.43 -43.0 91.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.13 0.491 . . . . 0.0 109.856 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.25 -42.36 90.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.238 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.0 m -57.68 -45.98 84.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.83 -44.64 95.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.562 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.79 -44.42 90.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.447 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 91.1 mt -61.37 -42.82 95.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.483 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -60.91 -39.39 89.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.63 -41.59 99.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.786 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -59.29 -39.65 83.65 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -63.25 -38.83 92.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.554 ' NZ ' ' CD2' ' B' ' 98' ' ' HIS . 98.2 mttt -64.57 -39.5 93.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.214 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.391 179.778 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.573 0.225 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.74 -47.49 78.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.863 0.363 . . . . 1.94 110.32 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.61 -35.98 79.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.237 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.56 -43.26 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.34 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.84 -43.71 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.87 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -59.54 -42.06 91.48 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.501 -0.555 . . . . 1.05 109.501 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.04 97.51 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.3 -42.52 99.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.826 0.346 . . . . 0.0 110.421 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.87 -44.4 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 1.08 109.685 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.57 -44.29 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.875 -0.602 . . . . 1.02 109.926 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -61.8 -45.6 93.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.851 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.45 -44.44 95.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.09 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.26 99.23 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.55 -43.59 96.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.23 74.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.915 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.639 HH21 ' HH ' ' B' ' 23' ' ' TYR . 76.7 ttt180 -59.6 -45.88 90.61 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -55.81 -43.87 77.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.91 -43.33 96.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.747 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.08 71.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.639 ' HH ' HH21 ' B' ' 19' ' ' ARG . 8.0 m-85 -59.27 -40.8 87.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.691 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.81 88.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.685 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.23 86.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.612 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.62 -45.46 93.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.383 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.66 -41.77 74.12 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.51 -41.93 98.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.857 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.84 93.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.667 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.3 -29.15 69.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.084 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -81.34 -4.87 56.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.387 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.59 15.57 68.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.77 79.2 2.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.714 0.292 . . . . 0.0 110.303 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -64.34 -34.51 78.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.604 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.44 -47.62 83.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.947 0.403 . . . . 0.0 110.742 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.2 80.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.429 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.75 -47.83 81.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.555 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.28 -42.74 99.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.556 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.3 98.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.62 -42.22 91.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.527 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.437 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 74.9 mtm -64.27 -40.67 96.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.557 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.68 -47.93 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.458 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.28 -41.01 98.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.269 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.49 -46.61 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.457 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -60.7 -42.86 98.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.332 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -60.76 -43.51 97.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.225 0.536 . . . . 0.0 110.617 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.28 99.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.177 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.55 -39.62 91.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.756 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.61 -43.12 97.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.03 -40.06 94.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.172 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.92 76.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.453 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.33 -39.09 89.24 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.13 110.248 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.44 -43.99 96.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.39 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.37 -43.48 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.08 0.467 . . . . 0.0 110.029 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.411 HE21 HD23 ' B' ' 74' ' ' LEU . 68.6 tp60 -60.15 -44.11 95.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.8 m -56.49 -43.37 79.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 1.03 110.01 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.16 -39.17 91.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.568 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.9 -31.21 72.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.756 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -83.97 -33.69 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.023 -0.535 . . . . 1.01 110.691 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 -179.771 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 91.9 p . . . . . 0 N--CA 1.461 0.083 0 CA-C-O 120.979 0.418 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.16 -44.14 95.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.581 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.68 -47.31 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.576 -178.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.573 ' H ' ' HG ' ' B' ' 71' ' ' SER . 97.2 mt -64.63 -41.16 96.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.076 0.465 . . . . 1.03 111.004 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.4 -46.88 94.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.766 -0.652 . . . . 1.12 110.307 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.475 ' CE1' ' CE1' ' B' ' 80' ' ' HIS . 58.7 t-80 -58.95 -46.41 88.11 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.763 -0.375 . . . . 2.11 110.339 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.55 95.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.866 0.365 . . . . 1.01 110.379 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.433 HE21 ' HG2' ' B' ' 82' ' ' MET . 62.1 tp60 -63.16 -41.26 99.22 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.119 -0.491 . . . . 1.89 110.221 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 41.4 tp -56.87 -46.6 81.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.382 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.486 ' O ' ' OG1' ' B' ' 83' ' ' THR . 47.9 m80 -67.35 -46.18 74.15 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.734 -0.386 . . . . 0.14 110.687 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.84 -46.36 90.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.844 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' MET . . . . . 0.433 ' HG2' HE21 ' B' ' 78' ' ' GLN . 87.6 mmm -60.41 -43.31 96.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.235 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 22.1 p -62.17 -45.77 91.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.206 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.8 t -61.66 -49.33 76.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.642 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.98 -48.14 80.89 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.456 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.45 -44.74 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.72 83.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.89 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -57.47 -46.09 84.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.595 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 97.8 mt-10 -61.66 -43.72 98.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.096 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.67 -42.51 91.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.121 0.486 . . . . 0.0 110.011 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.38 -42.18 89.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.19 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 71.8 m -58.13 -45.48 87.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.039 0.447 . . . . 0.0 109.874 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.18 -44.47 95.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.491 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.87 -44.45 91.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.437 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.5 mt -61.44 -42.96 95.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.553 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -60.59 -39.5 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.67 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.55 -41.31 98.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.873 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.554 ' CD2' ' NZ ' ' A' ' 100' ' ' LYS . 60.1 m80 -59.34 -39.9 84.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.789 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -63.03 -38.96 93.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.115 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . 0.56 ' NZ ' ' CD2' ' C' ' 98' ' ' HIS . 98.2 mttt -64.38 -39.96 94.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.213 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.423 179.704 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.575 0.226 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.61 -47.8 77.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.879 0.371 . . . . 1.94 110.396 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.43 -36.04 80.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.298 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.41 -42.91 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.324 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.19 -43.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.979 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.1 -42.4 90.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.624 -0.51 . . . . 1.05 109.624 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.75 98.03 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.54 -42.23 98.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.403 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.16 -44.09 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.956 -0.565 . . . . 1.09 109.712 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.411 HD13 HG21 ' C' ' 13' ' ' ILE . 93.4 mt -63.8 -44.18 98.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.538 . . . . 1.02 110.048 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -61.88 -45.71 92.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.781 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.36 -44.43 95.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.17 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.04 -42.91 99.5 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.8 -43.55 95.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.22 74.23 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.623 HH21 ' HH ' ' C' ' 23' ' ' TYR . 76.7 ttt180 -59.32 -46.2 89.24 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 12.0 t -55.58 -44.17 76.64 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.59 -43.04 98.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.773 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -51.11 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.623 ' HH ' HH21 ' C' ' 19' ' ' ARG . 7.9 m-85 -59.24 -40.95 87.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.508 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.9 88.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.694 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.42 86.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.525 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.34 -45.35 94.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.474 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.86 -41.3 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.08 -41.62 98.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.891 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.81 93.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.803 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.62 -29.15 69.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.085 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -80.98 -4.84 56.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.475 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.55 15.45 68.43 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -99.01 79.53 2.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.718 0.294 . . . . 0.0 110.302 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -64.67 -34.39 78.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.551 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.57 83.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 110.708 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.35 80.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.416 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.99 80.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.447 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -61.76 -42.85 99.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.651 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.63 99.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.743 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.41 -42.16 92.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 75.0 mtm -64.36 -40.53 96.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.58 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -61.77 -48.33 81.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.424 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.73 -41.53 99.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.01 -46.69 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -60.88 -42.44 97.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.326 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.1 ttp -61.14 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.311 0.576 . . . . 0.0 110.537 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.31 99.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.312 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.54 -40.05 92.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.793 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.13 -43.18 95.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.27 -40.45 93.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.089 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -44.96 78.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.454 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.556 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.1 t60 -61.16 -39.31 89.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.991 -0.55 . . . . 0.14 110.347 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.54 -44.04 96.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.326 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.04 -43.4 96.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.002 0.43 . . . . 0.0 109.979 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.414 HE21 HD23 ' C' ' 74' ' ' LEU . 68.8 tp60 -60.4 -44.12 96.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.246 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.1 m -56.36 -43.19 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 1.03 110.11 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.34 -38.97 91.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 110.508 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.06 -31.09 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.439 HG21 HD13 ' C' ' 59' ' ' ILE . 96.9 mt -84.05 -33.55 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 1.01 110.852 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.463 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 48.7 mt . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 120.657 0.265 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.25 -47.37 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 130.108 3.363 . . . . 0.0 110.592 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.414 HD23 HE21 ' C' ' 55' ' ' GLN . 95.5 mt -67.03 -40.57 87.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.084 0.468 . . . . 1.03 110.998 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 52.4 t -60.93 -47.36 93.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.833 -0.621 . . . . 1.13 110.218 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 58.9 t-80 -58.85 -46.51 87.57 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.845 -0.342 . . . . 1.96 110.371 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.54 95.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.88 0.371 . . . . 1.01 110.44 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . 0.428 HE21 ' HG2' ' C' ' 82' ' ' MET . 61.8 tp60 -62.95 -41.25 99.46 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.89 110.305 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 41.5 tp -56.9 -46.52 81.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.517 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 48.9 m80 -67.53 -45.94 74.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.3 -0.409 . . . . 0.13 110.808 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.05 -45.96 92.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.807 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 82' ' ' MET . . . . . 0.428 ' HG2' HE21 ' C' ' 78' ' ' GLN . 87.5 mmm -60.89 -43.19 98.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.45 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 22.7 p -62.1 -45.54 93.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.194 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.19 -49.15 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.08 -47.85 81.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.713 0.292 . . . . 0.0 110.535 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.56 -44.76 96.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.929 0.395 . . . . 0.0 110.152 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.28 84.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.968 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -57.71 -46.23 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.36 -43.91 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 0.0 110.165 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.41 -42.82 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.245 0.545 . . . . 0.0 110.033 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.15 -42.22 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.402 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -58.13 -45.34 87.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.093 0.473 . . . . 0.0 110.021 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.3 -44.27 95.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.52 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 84.7 mt -58.99 -44.55 91.62 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 90.1 mt -61.29 -43.01 95.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.557 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -60.38 -39.65 88.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.748 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.43 -41.83 99.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.879 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.56 ' CD2' ' NZ ' ' B' ' 100' ' ' LYS . 60.3 m80 -58.89 -40.05 83.3 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.3 tm-20 -62.88 -39.02 93.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.114 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.28 -39.62 94.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.24 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.81 -42.53 94.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.314 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.3 mttp -90.6 140.57 29.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.504 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.554 -179.919 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.516 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.857 0.837 . . . . 0.0 108.957 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.8 142.98 36.66 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.94 156.39 38.8 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.054 -1.029 . . . . 0.0 109.521 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.19 149.18 28.47 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.33 18.97 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.981 -1.074 . . . . 0.0 108.372 178.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.8 144.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.7 136.6 37.0 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.158 0.98 . . . . 0.0 110.165 177.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.98 114.31 24.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.88 -4.27 19.37 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.897 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.82 85.84 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.696 -1.878 . . . . 0.0 110.631 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.49 -47.69 12.84 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 124.749 3.633 . . . . 0.0 114.17 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.556 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 99.1 m-20 -102.13 27.56 6.55 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 116.082 -2.247 . . . . 0.0 108.795 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.22 -127.14 26.65 Favored Glycine 0 N--CA 1.496 2.696 0 C-N-CA 117.61 -2.233 . . . . 0.0 109.617 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.02 74.92 1.62 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.915 -1.344 . . . . 0.0 109.551 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -80.07 175.43 10.65 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.883 -1.527 . . . . 0.0 112.145 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.584 ' HG1' ' H ' ' D' ' 317' ' ' ARG . 63.9 p -22.99 -69.09 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -176.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.584 ' H ' ' HG1' ' D' ' 316' ' ' THR . 18.7 ttt180 -44.02 -66.0 0.52 Allowed Pre-proline 0 N--CA 1.493 1.683 0 C-N-CA 120.104 -0.638 . . . . 0.0 112.554 -177.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.71 -32.25 57.41 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 121.973 1.782 . . . . 0.0 111.469 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.83 86.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.208 -0.932 . . . . 0.0 109.47 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.69 72.49 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.94 -39.38 94.03 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 117.999 -1.48 . . . . 0.0 109.516 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.546 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.68 -45.3 93.42 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.569 1.176 . . . . 0.0 108.692 -177.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.68 -42.3 95.56 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.645 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.443 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 95.7 mttt -63.85 -40.22 96.07 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.784 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.462 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.66 79.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 109.589 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.01 91.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.571 -1.331 . . . . 0.0 109.444 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.42 -16.09 43.38 Favored 'General case' 0 N--CA 1.511 2.588 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.69 86.03 Favored Glycine 0 N--CA 1.479 1.531 0 O-C-N 119.921 -1.737 . . . . 0.0 109.3 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.415 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.33 143.34 32.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.26 -1.729 . . . . 0.0 110.054 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.67 -29.98 59.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.276 -0.89 . . . . 0.0 112.312 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.73 158.55 10.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.778 -1.826 . . . . 0.0 112.82 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.585 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.29 35.46 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 171.186 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.58 60.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 CA-C-O 122.176 0.989 . . . . 0.0 109.306 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.405 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.9 m -124.98 143.23 51.0 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 123.124 1.44 . . . . 0.0 109.973 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.405 ' N ' HG23 ' D' ' 334' ' ' THR . 86.6 t -108.05 129.92 61.43 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.683 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.0 m -127.44 119.6 26.49 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.831 -1.168 . . . . 0.0 108.971 -178.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.56 122.59 39.24 Favored 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.872 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.79 38.87 24.3 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.908 -1.12 . . . . 0.0 112.752 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.62 11.05 83.54 Favored Glycine 0 N--CA 1.502 3.046 0 O-C-N 119.853 -1.779 . . . . 0.0 112.519 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.88 136.25 54.57 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 105.274 -2.121 . . . . 0.0 105.274 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.73 158.5 33.12 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-O 123.76 1.743 . . . . 0.0 112.46 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.36 31.37 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 112.539 -2.118 . . . . 0.0 108.646 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.649 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.55 136.02 48.97 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.95 -6.87 48.19 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.727 -1.233 . . . . 0.0 110.695 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.649 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.44 12.93 31.57 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.61 -1.306 . . . . 0.0 109.392 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.1 t -133.09 104.13 6.36 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 122.206 1.003 . . . . 0.0 110.119 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.2 -37.91 72.89 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.985 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -58.84 -51.39 70.2 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.512 -1.368 . . . . 0.0 113.041 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.5 70.7 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 119.538 -1.976 . . . . 0.0 109.225 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.79 75.88 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.888 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.526 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.69 -10.42 52.21 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.63 -0.669 . . . . 0.0 109.883 -177.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.6 p -89.75 -7.74 53.8 Favored 'General case' 0 N--CA 1.501 2.124 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.888 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . 0.404 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.9 mt -93.35 159.31 15.32 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.139 -0.976 . . . . 0.0 110.118 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.83 2.96 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 106.94 -2.464 . . . . 0.0 106.94 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.59 47.41 1.72 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 120.729 -1.453 . . . . 0.0 107.353 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 3.2 p -81.51 172.62 13.27 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.189 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -60.75 140.98 57.38 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.286 -0.966 . . . . 0.0 109.84 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.27 79.1 Favored Glycine 0 N--CA 1.501 3.003 0 C-N-CA 119.996 -1.097 . . . . 0.0 111.384 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.38 135.93 34.09 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.94 -1.329 . . . . 0.0 110.609 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.58 123.78 49.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.1 m -112.26 160.06 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 C-N-CA 117.347 -1.741 . . . . 0.0 110.611 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.4 m -108.81 128.43 54.89 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.588 -1.32 . . . . 0.0 107.617 175.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.96 121.38 60.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 176.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.27 50.71 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 -179.569 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.33 47.09 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 118.534 -1.267 . . . . 0.0 109.759 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.08 110.78 6.45 Favored 'General case' 0 C--N 1.287 -2.131 0 C-N-CA 118.588 -1.245 . . . . 0.0 108.074 178.212 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.28 40.13 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.047 -2.025 . . . . 0.0 110.378 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.56 82.9 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-N 114.403 -0.899 . . . . 0.0 112.173 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.05 36.72 3.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 115.886 -2.326 . . . . 0.0 108.581 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.59 65.75 Favored 'General case' 0 N--CA 1.521 3.1 0 N-CA-C 116.817 2.154 . . . . 0.0 116.817 -174.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.438 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.66 27.37 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 119.541 -1.974 . . . . 0.0 110.918 -176.507 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.784 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.68 97.6 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.5 77.6 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 117.483 -1.687 . . . . 0.0 110.028 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.73 -42.29 89.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 122.173 0.987 . . . . 0.0 109.283 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.83 -47.95 76.32 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 122.074 0.94 . . . . 0.0 108.712 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.784 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.72 -38.38 76.87 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.753 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.2 mt -75.55 -28.65 59.1 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.447 -1.408 . . . . 0.0 110.904 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.41 -39.54 71.62 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.27 62.93 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.462 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.22 -45.23 84.05 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.557 177.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.3 85.19 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.881 -1.137 . . . . 0.0 111.536 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.81 61.6 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.062 -1.023 . . . . 0.0 110.26 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.89 -32.37 45.78 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.49 -0.756 . . . . 0.0 111.335 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.99 125.44 12.08 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 124.317 2.008 . . . . 0.0 112.917 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.897 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.4 mm-40 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.181 -2.736 . . . . 0.0 110.17 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.8 -47.1 79.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.835 0.35 . . . . 1.94 110.274 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -67.22 -37.17 83.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.303 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.53 -42.72 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.396 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.22 -44.8 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.928 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.45 -42.14 91.27 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.518 -0.549 . . . . 1.04 109.518 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.77 97.8 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.24 -42.39 99.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 110.247 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' ' OG ' ' A' ' 15' ' ' SER . 93.7 mt -62.97 -44.46 99.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 1.05 109.763 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.43 -43.84 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 1.02 109.987 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -60.27 -46.32 90.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.785 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 12' ' ' ILE . 77.8 p -59.27 -43.2 92.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.978 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.42 99.68 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.01 -42.73 99.89 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.68 76.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -60.52 -46.33 90.54 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -55.14 -44.85 75.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.97 -42.64 99.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.79 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.5 -50.25 74.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.44 -42.51 92.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.614 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.23 -42.3 90.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.765 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.79 84.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.641 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.41 -45.35 94.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.459 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.738 ' HZ3' HE21 ' A' ' 31' ' ' GLN . 66.1 tttm -55.63 -43.17 75.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.2 mt-30 -61.66 -41.6 97.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.757 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.75 92.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.699 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.75 -28.98 69.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.146 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.738 HE21 ' HZ3' ' A' ' 27' ' ' LYS . 88.5 mt-30 -79.77 -4.51 52.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.373 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.87 13.46 69.4 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.9 79.54 2.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -64.86 -35.12 80.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.702 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.74 82.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.019 0.437 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -66.07 -35.16 79.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.386 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -48.07 80.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.599 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.01 -42.44 99.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.584 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.23 99.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.65 -40.63 92.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.88 -41.08 99.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -62.47 -44.23 96.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.994 0.426 . . . . 0.0 110.537 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.21 -41.68 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.227 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -60.55 -45.65 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.05 -42.48 98.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.3 tpp -60.98 -43.71 98.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.224 0.535 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.36 99.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.218 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.92 -39.5 90.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -61.37 -41.79 97.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.325 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -65.65 -39.34 91.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.148 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.68 -43.34 80.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.465 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -62.7 -37.98 88.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.022 -0.535 . . . . 0.13 110.325 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.29 -44.53 97.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.322 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.31 -43.01 95.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.044 0.45 . . . . 0.0 110.061 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.62 HE21 ' CD2' ' A' ' 74' ' ' LEU . 46.1 tp60 -60.47 -42.82 97.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.256 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 m -56.86 -42.91 80.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 1.03 110.055 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.67 -41.02 96.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.535 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.38 -37.39 83.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.5 mt -68.5 -39.29 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 1.01 110.908 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.221 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.462 0.133 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.66 -46.73 80.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.644 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.54 -44.99 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.879 0.371 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.62 ' CD2' HE21 ' A' ' 55' ' ' GLN . 31.8 mt -61.2 -40.18 92.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.012 0.434 . . . . 1.03 110.904 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.3 t -58.89 -47.01 90.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.816 -0.629 . . . . 1.12 110.225 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.88 -46.47 87.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.773 0.32 . . . . 0.0 110.309 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.75 -43.39 98.92 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.53 -0.305 . . . . 1.01 110.641 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.82 -39.15 90.79 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.249 -0.432 . . . . 1.89 110.201 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.6 tp -56.62 -46.56 80.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.33 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.424 ' O ' ' OG1' ' A' ' 83' ' ' THR . 87.3 m-70 -67.07 -45.97 75.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.355 -0.384 . . . . 0.13 110.685 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.03 -45.99 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.853 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.76 -42.02 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.227 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 22.2 p -64.41 -46.61 82.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.1 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 m -62.23 -48.75 78.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.99 -48.26 80.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.488 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.33 -45.02 96.18 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.06 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.78 83.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.844 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -58.55 -45.43 88.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.161 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.62 -43.66 98.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.093 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.47 -42.68 95.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 0.0 109.884 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.1 mt -60.17 -42.05 88.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.314 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.5 -46.08 84.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.962 0.41 . . . . 0.0 109.895 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.52 -43.84 97.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.599 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.4 mt -59.24 -43.62 92.38 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.17 -42.54 93.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.426 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.22 -39.96 92.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 109.759 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.43 -41.59 98.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.818 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.7 m80 -59.5 -40.25 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.27 -40.91 97.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.157 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.09 -38.31 90.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.177 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.365 179.664 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.611 0.243 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.89 -47.06 79.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 1.94 110.38 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.15 -37.28 83.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.116 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.53 -42.53 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.49 -44.71 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.845 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.8 mtp -59.54 -42.45 92.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.55 -0.537 . . . . 1.05 109.55 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.22 97.96 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.68 -42.46 99.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.813 0.34 . . . . 0.0 110.404 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.456 ' O ' ' OG ' ' B' ' 15' ' ' SER . 92.5 mt -63.07 -44.41 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 1.08 109.708 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.434 HD13 HG22 ' B' ' 13' ' ' ILE . 89.4 mt -63.37 -43.99 98.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 1.02 109.907 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -60.11 -46.16 90.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.89 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' B' ' 12' ' ' ILE . 78.1 p -59.34 -43.07 92.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.125 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.15 -41.84 99.61 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -63.51 -42.99 98.48 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.0 74.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.861 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.2 -46.42 89.8 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -55.03 -44.97 75.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.98 -42.91 99.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.683 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.21 74.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.61 -42.15 91.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.671 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.34 92.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.754 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.66 83.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.669 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.53 -45.69 93.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.361 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.728 ' HZ3' HE21 ' B' ' 31' ' ' GLN . 66.1 tttm -55.57 -42.86 75.33 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.433 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.1 mt-30 -61.74 -41.57 97.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.833 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.43 93.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.724 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.86 -29.27 70.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.022 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.728 HE21 ' HZ3' ' B' ' 27' ' ' LYS . 88.5 mt-30 -79.59 -4.41 51.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.66 13.58 69.71 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -97.92 79.44 2.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 110.319 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -64.91 -35.02 79.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.608 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.08 80.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.763 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.433 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.69 -35.21 80.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.397 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.01 80.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.571 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.05 -42.55 99.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.569 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.52 99.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.44 -41.0 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 4.3 mmt -62.5 -41.43 98.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.538 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.98 -44.51 96.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.03 -41.53 99.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.245 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -60.91 -45.42 94.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.22 -42.52 98.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpp -60.72 -43.98 97.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.277 0.561 . . . . 0.0 110.649 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.33 99.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.76 -40.13 91.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -60.66 -42.16 96.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.332 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.34 -39.63 92.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.14 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.41 81.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.464 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -62.54 -38.12 88.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.066 -0.515 . . . . 0.13 110.326 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.18 -44.33 97.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.318 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.61 -43.33 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.074 0.464 . . . . 0.0 110.026 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.629 HE21 ' CD2' ' B' ' 74' ' ' LEU . 46.4 tp60 -60.04 -42.88 95.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.239 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 12.5 m -56.94 -43.26 81.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 1.03 109.986 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.36 -40.87 95.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.924 0.392 . . . . 0.0 110.525 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.6 -37.35 82.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.1 mt -68.51 -39.26 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.169 -0.469 . . . . 1.01 110.745 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.529 -179.036 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.461 0.093 0 CA-C-O 121.036 0.446 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.05 -46.23 88.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.492 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.0 -44.41 98.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.598 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.629 ' CD2' HE21 ' B' ' 55' ' ' GLN . 33.3 mt -61.43 -39.56 91.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 1.03 110.975 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 45.6 t -59.12 -47.32 90.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.775 -0.648 . . . . 1.12 110.295 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.664 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.4 t-80 -58.94 -46.18 88.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.86 -0.336 . . . . 2.11 110.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.0 99.98 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.864 0.364 . . . . 1.01 110.399 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.41 -38.82 91.12 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.115 -0.493 . . . . 1.89 110.267 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 39.9 tp -57.08 -46.43 82.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.401 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.664 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 86.9 m-70 -66.97 -45.83 76.49 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.787 -0.365 . . . . 0.14 110.69 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.38 -45.98 92.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -61.49 -42.75 99.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.259 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 22.0 p -63.68 -46.63 84.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.18 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -62.07 -48.73 78.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -58.16 -48.13 81.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.444 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.38 -44.9 96.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.08 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.82 -47.81 83.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.862 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.4 -45.27 88.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.202 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.91 -43.59 98.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.183 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.48 -42.47 95.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.102 0.477 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.27 -42.15 89.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.191 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.52 -45.85 84.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.072 0.463 . . . . 0.0 109.86 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -62.84 -43.68 98.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.473 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.572 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.4 mt -59.33 -43.15 92.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.87 -42.54 95.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.488 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.98 -40.28 92.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.2 -41.91 98.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.867 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -59.25 -40.27 85.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.23 -40.88 97.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.047 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.13 -38.31 90.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.201 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.391 179.544 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.578 0.228 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.86 -47.02 79.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.857 0.361 . . . . 1.94 110.343 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.13 -37.16 83.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.277 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.67 -42.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.64 -44.64 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.925 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.2 mtp -59.73 -41.96 92.09 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.565 -0.531 . . . . 1.05 109.565 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.3 -42.37 97.82 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.71 -42.46 99.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.397 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.457 ' O ' ' OG ' ' C' ' 15' ' ' SER . 93.1 mt -63.01 -44.38 99.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 1.09 109.677 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.36 -43.67 98.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.011 -0.54 . . . . 1.02 110.084 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -60.74 -45.72 93.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.789 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' C' ' 12' ' ' ILE . 78.3 p -59.43 -43.31 93.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.123 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.26 99.71 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.23 -42.56 99.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.68 76.6 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -60.68 -46.17 91.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -55.26 -44.86 75.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.05 -42.66 99.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.686 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.18 74.9 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.39 -42.29 91.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.492 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.28 92.25 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.71 84.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.593 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.38 -45.85 92.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.46 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . 0.738 ' HZ3' HE21 ' C' ' 31' ' ' GLN . 66.0 tttm -55.35 -43.29 74.88 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.437 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.5 mt-30 -61.53 -41.78 97.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.865 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.73 91.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.771 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.9 -29.01 69.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.091 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.738 HE21 ' HZ3' ' C' ' 27' ' ' LYS . 88.9 mt-30 -79.48 -4.79 52.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.09 13.47 68.83 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.9 79.11 2.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.71 0.29 . . . . 0.0 110.331 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -64.74 -35.12 80.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.532 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.82 81.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.011 0.434 . . . . 0.0 110.642 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . 0.437 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.79 -35.31 80.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.11 79.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.8 -42.8 99.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.72 99.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.38 -40.93 94.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.494 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.85 -40.93 98.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.651 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.4 -44.43 96.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.483 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.99 -41.77 99.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.262 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -60.63 -45.34 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.525 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.38 -42.36 98.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.297 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 9.1 tpp -60.92 -44.21 97.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.332 0.587 . . . . 0.0 110.541 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.84 99.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.318 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.43 -40.01 92.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.769 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -61.16 -41.92 97.63 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.364 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.4 -39.72 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.008 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.7 81.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.421 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.532 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 62.0 t-80 -62.36 -37.97 87.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.14 110.336 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.54 -44.27 97.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.303 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.36 -43.37 94.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.033 0.444 . . . . 0.0 109.92 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.62 HE21 ' CD2' ' C' ' 74' ' ' LEU . 46.3 tp60 -60.11 -43.25 95.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.215 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 11.1 m -56.5 -43.04 79.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 1.03 110.197 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.86 -40.38 95.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.956 0.408 . . . . 0.0 110.512 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.83 -36.99 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.785 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.8 -39.33 79.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.971 -0.559 . . . . 1.01 110.876 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.524 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.505 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 42.3 tp . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.663 0.268 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.15 -44.68 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 130.077 3.351 . . . . 0.0 110.558 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.62 ' CD2' HE21 ' C' ' 55' ' ' GLN . 38.5 mt -63.24 -39.18 93.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.077 0.465 . . . . 1.03 111.087 177.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 45.7 t -59.83 -47.47 91.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.726 -0.67 . . . . 1.13 110.221 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.649 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.4 t-80 -59.38 -46.1 89.6 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.893 -0.323 . . . . 1.96 110.292 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.48 98.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.851 0.358 . . . . 1.01 110.421 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -62.05 -38.97 90.75 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.17 -0.468 . . . . 1.89 110.238 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 38.3 tp -56.85 -46.51 81.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.493 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.649 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 87.1 m-70 -67.0 -45.91 76.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.415 . . . . 0.13 110.764 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.11 -45.94 92.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.83 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.68 -42.21 98.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.373 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 23.0 p -64.27 -46.85 81.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.175 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.8 m -61.65 -48.92 78.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.92 -48.6 79.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.502 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.99 -45.18 95.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.171 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.4 -48.12 81.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.962 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.1 -45.69 86.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.216 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.27 -44.01 97.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.13 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.16 -42.87 96.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.185 0.517 . . . . 0.0 110.015 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 75.0 mt -60.04 -42.14 88.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.385 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.47 -45.9 84.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.067 0.46 . . . . 0.0 109.936 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.63 -44.19 96.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.497 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.3 mt -58.88 -43.37 90.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.283 0.563 . . . . 0.0 109.524 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.41 -43.09 96.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.574 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.22 -40.62 90.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.08 0.466 . . . . 0.0 109.796 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.93 -41.75 98.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.905 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.0 m80 -59.58 -40.18 86.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.744 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.21 -40.71 97.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.045 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.19 -38.32 90.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.69 -41.74 95.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.35 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -80.66 141.78 34.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.47 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.551 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.513 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 121.866 0.841 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.81 143.03 36.66 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.27 38.45 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.992 -1.067 . . . . 0.0 109.593 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.06 149.15 28.51 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.19 152.28 18.98 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.062 -1.024 . . . . 0.0 108.425 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.8 144.29 19.31 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.58 136.59 36.89 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.12 0.962 . . . . 0.0 110.142 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.32 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.91 -4.27 19.32 Favored 'General case' 0 C--N 1.266 -3.052 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.9 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.44 141.75 85.9 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.664 -1.897 . . . . 0.0 110.666 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.42 -47.67 12.73 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 124.732 3.621 . . . . 0.0 114.223 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.532 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 97.6 m-20 -102.1 27.46 6.61 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 116.058 -2.257 . . . . 0.0 108.842 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.44 -126.4 27.78 Favored Glycine 0 N--CA 1.496 2.646 0 C-N-CA 117.713 -2.184 . . . . 0.0 109.595 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.57 78.0 1.81 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.95 -1.324 . . . . 0.0 109.563 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -84.52 176.84 8.37 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 117.851 -1.54 . . . . 0.0 112.095 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 77.1 p -23.34 -69.95 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.24 2.311 . . . . 0.0 117.24 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -45.73 -65.58 0.64 Allowed Pre-proline 0 N--CA 1.492 1.654 0 C-N-CA 120.193 -0.603 . . . . 0.0 112.514 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.57 -32.25 59.0 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.591 1.527 . . . . 0.0 111.501 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.9 86.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.227 -0.92 . . . . 0.0 109.471 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.77 72.73 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.99 -39.35 93.93 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.906 -1.517 . . . . 0.0 109.47 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.538 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.66 -45.39 93.03 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 122.627 1.203 . . . . 0.0 108.648 -177.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.57 -42.29 95.34 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.222 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.681 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -63.81 -40.33 96.37 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.24 -0.912 . . . . 0.0 109.842 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.68 80.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.477 -0.765 . . . . 0.0 109.641 177.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.96 91.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.63 -1.294 . . . . 0.0 109.466 178.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.31 -16.28 44.18 Favored 'General case' 0 N--CA 1.51 2.565 0 O-C-N 121.303 -0.873 . . . . 0.0 113.251 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.56 86.13 Favored Glycine 0 N--CA 1.479 1.566 0 O-C-N 119.919 -1.738 . . . . 0.0 109.278 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.36 32.82 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.192 -1.77 . . . . 0.0 110.022 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.7 p -75.61 -30.06 59.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.259 -0.9 . . . . 0.0 112.31 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.88 158.55 10.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 119.778 -1.826 . . . . 0.0 112.802 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.92 130.26 35.41 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 102.853 -3.017 . . . . 0.0 102.853 171.292 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.58 60.4 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.373 0 CA-C-O 122.197 0.999 . . . . 0.0 109.281 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.407 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.87 143.22 50.95 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 123.009 1.385 . . . . 0.0 110.058 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.407 ' N ' HG23 ' D' ' 334' ' ' THR . 86.0 t -108.13 129.94 61.52 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.738 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 173.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.407 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.4 m -127.43 119.48 26.24 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.757 -1.214 . . . . 0.0 109.043 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.45 122.55 39.23 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.528 -0.733 . . . . 0.0 109.933 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.89 24.23 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.841 -1.162 . . . . 0.0 112.761 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.74 11.0 83.47 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 119.985 -1.697 . . . . 0.0 112.455 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.81 136.33 54.51 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 177.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.89 158.53 33.28 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-O 123.826 1.774 . . . . 0.0 112.433 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.65 151.36 31.38 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 112.515 -2.129 . . . . 0.0 108.599 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.639 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.58 135.96 48.87 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 173.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.9 -6.8 47.6 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.727 -1.233 . . . . 0.0 110.744 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.639 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.51 12.97 31.58 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.703 -1.248 . . . . 0.0 109.4 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.9 t -133.1 104.11 6.36 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.134 0.968 . . . . 0.0 110.128 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.22 -37.86 72.9 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.948 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -58.88 -51.42 70.11 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.558 -1.339 . . . . 0.0 113.045 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.49 70.66 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 119.526 -1.984 . . . . 0.0 109.149 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.61 75.57 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 118.877 -1.129 . . . . 0.0 109.997 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.524 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.73 -10.4 52.2 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.676 -0.64 . . . . 0.0 109.96 -177.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 38.1 p -89.8 -7.72 53.74 Favored 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 118.167 -1.413 . . . . 0.0 110.945 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.4 159.36 15.28 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.137 -0.977 . . . . 0.0 110.126 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.73 104.9 2.97 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 106.857 -2.497 . . . . 0.0 106.857 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.5 mt -119.63 47.39 1.72 Allowed 'General case' 0 C--N 1.308 -1.211 0 O-C-N 120.668 -1.489 . . . . 0.0 107.409 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.4 p -81.41 172.56 13.39 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.814 -1.155 . . . . 0.0 109.192 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.79 140.9 57.45 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 119.341 -0.943 . . . . 0.0 109.79 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.52 -3.28 78.72 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 119.949 -1.119 . . . . 0.0 111.363 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.4 135.94 34.07 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.909 -1.348 . . . . 0.0 110.615 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.58 123.69 48.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.14 160.13 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 C-N-CA 117.322 -1.751 . . . . 0.0 110.665 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.407 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.89 128.34 54.83 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.56 -1.337 . . . . 0.0 107.609 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.9 121.39 60.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.25 50.71 Favored 'General case' 0 C--N 1.286 -2.179 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.46 47.22 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 118.497 -1.281 . . . . 0.0 109.747 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.84 6.44 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 118.529 -1.268 . . . . 0.0 108.031 178.151 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.23 -170.32 40.15 Favored Glycine 0 C--N 1.295 -1.706 0 C-N-CA 118.055 -2.021 . . . . 0.0 110.383 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.34 -40.72 82.89 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-N 114.414 -0.893 . . . . 0.0 112.158 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -113.97 36.76 3.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 118.967 -2.333 . . . . 0.0 108.544 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.32 -33.64 65.78 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -174.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.426 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.84 -45.64 27.74 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.54 -1.975 . . . . 0.0 110.95 -176.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.786 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.78 97.85 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.58 77.35 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.514 -1.675 . . . . 0.0 110.042 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.86 -42.27 88.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 CA-C-O 122.171 0.986 . . . . 0.0 109.183 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.88 -47.84 76.65 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-O 122.029 0.919 . . . . 0.0 108.774 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.786 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.81 -38.3 76.56 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.69 -178.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.7 mt -75.65 -28.63 58.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.369 -1.457 . . . . 0.0 110.836 -174.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.49 -39.49 70.89 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.454 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.22 63.06 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.19 -45.21 83.95 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.061 -1.056 . . . . 0.0 110.569 177.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.44 -37.3 85.33 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.876 -1.14 . . . . 0.0 111.536 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.97 -31.77 61.54 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.031 -1.043 . . . . 0.0 110.191 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.88 -32.33 45.81 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.52 -0.737 . . . . 0.0 111.317 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.98 125.45 12.07 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 124.266 1.984 . . . . 0.0 112.874 178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.9 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.3 tt0 . . . . . 0 C--N 1.277 -2.569 0 CA-C-N 111.153 -2.748 . . . . 0.0 110.121 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -46.13 83.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.972 0.415 . . . . 1.94 110.421 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -68.67 -34.79 76.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.246 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.73 -42.85 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.389 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.43 -43.5 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.944 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.96 -42.31 89.58 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.52 -0.548 . . . . 1.04 109.52 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -41.67 97.65 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -43.03 99.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.245 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.95 -43.88 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 1.05 109.781 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' CD1' ' CE ' ' D' ' 324' ' ' LYS . 88.5 mt -64.08 -44.4 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 1.02 109.948 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 14' ' ' ASN . 47.5 t-20 -60.92 -47.01 88.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.74 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.0 m -59.35 -43.43 92.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.043 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -42.12 98.98 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -64.3 -44.55 91.3 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.31 77.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.851 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -60.41 -46.97 88.1 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -54.49 -43.73 72.03 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.19 -42.28 99.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.705 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.74 76.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -60.03 -42.3 94.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.538 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.3 93.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.745 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.58 85.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.64 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -45.37 94.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.442 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.47 -42.15 73.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.32 -41.48 97.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.771 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.71 94.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.787 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.49 -29.22 69.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.182 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.45 -4.67 54.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.489 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.71 14.67 69.75 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.34 79.34 2.52 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.737 0.303 . . . . 0.0 110.304 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -64.28 -34.64 78.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.699 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.5 -49.07 76.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.062 0.458 . . . . 0.0 110.753 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.21 80.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.366 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.04 80.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.27 -42.28 99.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.525 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.64 98.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mmm -65.35 -40.8 94.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.499 ' O ' ' OG ' ' A' ' 44' ' ' SER . 91.1 mmm -63.01 -41.12 99.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.681 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.73 -43.35 99.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.013 0.435 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.06 -40.52 97.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.167 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.94 -45.57 93.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.549 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.07 -42.44 94.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.32 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 89.5 mmm -61.55 -42.72 99.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.235 0.54 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.95 95.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.215 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.37 -39.86 92.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.624 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -61.14 -41.53 96.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.266 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.56 -39.65 91.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.186 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.09 -45.26 74.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.481 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.14 -39.44 90.06 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.13 110.385 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.26 -44.17 95.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.8 -43.32 93.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.062 0.458 . . . . 0.0 110.031 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.419 HE21 HD22 ' A' ' 74' ' ' LEU . 67.6 tp60 -59.74 -43.96 94.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.314 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -56.44 -42.71 78.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 1.03 110.062 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.58 -40.37 91.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.399 . . . . 0.0 110.52 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.53 -37.8 87.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.642 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.2 mt -73.54 -37.07 49.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 1.01 110.851 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 -179.356 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.226 -0.173 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.06 -45.77 86.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.625 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.89 -47.53 87.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.856 0.36 . . . . 0.0 110.503 -179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.419 HD22 HE21 ' A' ' 55' ' ' GLN . 87.6 mt -64.07 -43.02 96.7 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.027 0.441 . . . . 1.03 110.936 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.96 -46.85 93.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.802 -0.636 . . . . 1.12 110.167 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.18 -46.32 90.11 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.272 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.41 96.34 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.772 0.32 . . . . 1.01 110.658 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.04 -38.81 90.15 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.222 -0.444 . . . . 1.89 110.175 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 42.8 tp -55.98 -46.82 78.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.378 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -67.24 -45.93 75.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.337 -0.392 . . . . 0.13 110.74 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.22 -46.23 91.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.813 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.91 -43.08 99.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.176 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.3 p -63.78 -45.92 87.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.098 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.4 t -62.88 -48.94 76.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.458 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.654 ' CE ' HH12 ' B' ' 19' ' ' ARG . 51.6 ttp -57.92 -47.67 82.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.591 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.61 -44.71 96.49 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.088 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.51 -48.14 80.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -58.85 -45.3 90.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.123 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 85' ' ' MET . 1.2 mp0 -60.69 -44.13 96.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.085 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.26 -42.58 96.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.192 0.52 . . . . 0.0 109.889 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.4 HG23 HD11 ' A' ' 91' ' ' ILE . 77.0 mt -59.93 -41.47 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.208 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.479 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 99.0 m -57.2 -45.93 83.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.066 0.46 . . . . 0.0 109.906 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.62 -43.49 96.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.612 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.7 mt -59.68 -43.98 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.37 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.54 -43.04 96.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.518 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.38 -40.16 89.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.74 -42.23 99.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.886 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.567 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -59.65 -40.34 87.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.49 -40.63 97.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.139 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.58 -38.69 91.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.32 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.439 179.717 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.596 0.236 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.0 -46.18 82.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.946 0.403 . . . . 1.94 110.32 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -68.61 -34.72 76.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.211 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.1 t -63.99 -42.67 96.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.382 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.63 -43.23 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.933 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.12 -42.3 90.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.577 -0.527 . . . . 1.05 109.577 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.01 -41.39 97.3 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.154 -1.179 . . . . 0.0 110.154 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.93 -42.94 99.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.01 -44.04 99.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.997 -0.547 . . . . 1.08 109.693 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.93 -44.5 97.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.963 -0.562 . . . . 1.02 109.885 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.412 ' C ' ' OD1' ' B' ' 14' ' ' ASN . 47.6 t-20 -60.9 -46.8 89.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.86 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.7 m -59.37 -43.53 92.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.109 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -42.03 99.13 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -64.39 -44.58 90.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.27 77.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.925 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.654 HH12 ' CE ' ' A' ' 85' ' ' MET . 73.1 ttt180 -60.5 -46.98 88.15 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.5 m -54.57 -43.46 72.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.32 -42.4 98.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.706 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -49.83 76.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.86 -42.5 93.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.639 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.55 92.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.68 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -42.72 85.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.599 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.23 -45.62 93.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.286 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.42 -41.99 73.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.4 -41.41 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.872 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.83 94.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.78 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.46 -29.3 69.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.031 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.51 -4.46 53.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.373 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.42 14.67 70.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -98.16 79.46 2.58 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.755 0.312 . . . . 0.0 110.36 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -64.65 -34.55 78.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.567 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.96 77.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 0.0 110.762 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.16 -34.88 79.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.391 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.16 79.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.14 -42.65 99.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.549 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.61 99.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.697 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.66 -40.7 92.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.481 ' O ' ' OG ' ' B' ' 44' ' ' SER . 91.0 mmm -63.18 -41.02 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.554 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -62.84 -43.29 99.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -63.03 -40.74 98.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.247 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.1 p -61.69 -45.49 93.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.473 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -60.38 -42.22 95.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.323 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.57 -43.01 99.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.312 0.577 . . . . 0.0 110.647 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.02 95.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.166 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.19 -40.1 93.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.716 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -61.0 -41.72 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.285 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.37 -39.71 92.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.153 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.91 -45.72 73.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.482 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -60.56 -39.6 88.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.13 110.28 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.3 -44.28 95.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.326 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.66 -43.57 93.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.016 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.401 HE21 HD22 ' B' ' 74' ' ' LEU . 67.3 tp60 -59.5 -44.09 93.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.313 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.9 m -56.18 -43.01 78.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.03 110.026 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.68 -39.89 90.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.94 0.4 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.86 -38.02 87.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.16 -37.07 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.038 -0.528 . . . . 1.01 110.764 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.554 -179.323 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 121.012 0.434 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.16 -45.47 92.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.557 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.99 -47.01 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.612 -178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.401 HD22 HE21 ' B' ' 55' ' ' GLN . 87.6 mt -64.53 -42.35 95.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.096 0.474 . . . . 1.03 110.957 -178.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.3 -46.92 94.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.835 -0.62 . . . . 1.12 110.314 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -60.13 -46.59 89.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.883 -0.327 . . . . 2.11 110.287 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.22 94.19 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.907 0.384 . . . . 1.01 110.384 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.18 -39.04 88.66 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.2 -0.455 . . . . 1.89 110.272 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 42.3 tp -55.96 -46.75 78.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.341 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -67.21 -46.0 75.16 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.8 -0.36 . . . . 0.14 110.669 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.06 -46.33 91.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.909 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.93 -43.02 99.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.299 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.8 p -63.7 -45.98 87.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.152 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 37.7 t -62.39 -49.48 75.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.661 ' CE ' HH12 ' C' ' 19' ' ' ARG . 53.2 ttp -57.32 -48.14 79.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.494 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.33 -44.74 96.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.105 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.24 80.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -58.71 -44.94 90.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.482 ' OE1' ' O ' ' B' ' 85' ' ' MET . 1.2 mp0 -61.02 -44.16 97.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.162 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.26 -42.36 96.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 110.036 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . 0.42 HD11 HG23 ' B' ' 91' ' ' ILE . 77.7 mt -59.9 -41.57 86.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.195 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.471 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 98.2 m -57.3 -45.68 83.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.07 0.462 . . . . 0.0 109.879 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.61 -43.9 95.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.485 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 87.5 mt -59.22 -44.43 92.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.401 HD11 HG21 ' B' ' 95' ' ' ILE . 91.5 mt -61.38 -42.84 95.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.49 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.41 -40.66 91.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.3 -42.16 99.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.835 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.5 m80 -59.75 -40.52 88.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -62.38 -40.6 96.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.118 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.71 -38.7 91.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.165 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.5 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.386 179.852 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.716 0.293 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.29 -46.02 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 1.94 110.405 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.61 -34.41 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.349 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.11 -42.89 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.4 -43.2 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.997 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -59.4 -41.69 90.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.567 -0.531 . . . . 1.05 109.567 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.23 -41.83 96.63 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.69 -42.9 99.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.421 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.86 -43.98 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 1.09 109.713 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.1 -44.49 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 1.02 110.071 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 47.2 t-20 -60.79 -46.62 89.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.789 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 m -59.76 -43.56 94.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.223 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.36 -42.12 99.24 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.159 -1.177 . . . . 0.0 110.159 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -64.14 -45.0 90.41 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.56 -49.66 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.661 HH12 ' CE ' ' B' ' 85' ' ' MET . 73.7 ttt180 -60.0 -47.31 86.34 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -54.27 -43.62 71.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.29 -42.6 99.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.692 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.98 75.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.91 -42.38 93.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.485 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.19 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.728 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.71 86.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.631 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.28 -45.41 94.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.478 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.76 -41.98 74.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.577 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.34 -41.39 96.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.898 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -42.65 93.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.773 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.69 -29.12 69.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.047 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.44 -4.81 55.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.45 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.8 14.7 69.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -98.32 79.44 2.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.73 0.3 . . . . 0.0 110.256 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -64.71 -34.5 78.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.585 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.87 77.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.962 0.41 . . . . 0.0 110.622 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.23 80.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.381 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.76 -48.3 79.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.451 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.12 -42.58 99.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.583 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.8 99.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.756 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.9 mmm -65.55 -40.67 93.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 0.0 110.588 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.502 ' O ' ' OG ' ' C' ' 44' ' ' SER . 91.4 mmm -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.613 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.61 -43.52 98.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.402 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.96 -40.54 97.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' C' ' 41' ' ' MET . 80.3 p -61.86 -45.47 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.34 -42.03 94.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.399 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 89.0 mmm -61.91 -42.65 99.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.382 0.61 . . . . 0.0 110.521 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.21 95.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.351 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.15 -40.04 93.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.781 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.06 -41.35 96.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.359 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.44 -40.26 93.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.095 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.26 75.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.41 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.728 ' CD2' HD21 ' D' ' 312' ' ' ASN . 84.2 t60 -60.96 -39.6 90.14 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.02 -0.537 . . . . 0.14 110.342 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.47 -44.08 96.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.311 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.76 -43.52 93.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.922 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.435 HE21 HD22 ' C' ' 74' ' ' LEU . 67.2 tp60 -59.45 -44.33 92.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.259 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.25 -42.8 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.386 . . . . 1.03 110.108 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.81 -39.73 90.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.359 . . . . 0.0 110.49 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.72 -38.1 88.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.772 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.14 -37.31 52.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.047 -0.524 . . . . 1.01 110.82 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.552 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.8 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.462 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.604 0.24 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.58 -47.33 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 130.066 3.346 . . . . 0.0 110.64 -178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.435 HD22 HE21 ' C' ' 55' ' ' GLN . 89.0 mt -66.67 -42.05 87.16 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.193 -0.458 . . . . 1.03 110.969 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.76 -47.31 93.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.778 -0.647 . . . . 1.13 110.272 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -60.11 -46.74 88.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.868 -0.333 . . . . 1.96 110.304 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -45.18 94.38 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.916 0.389 . . . . 1.01 110.413 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -61.13 -39.06 88.61 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.201 -0.454 . . . . 1.89 110.281 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.76 -46.85 77.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -67.32 -45.5 76.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.31 -0.405 . . . . 0.13 110.701 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.68 -46.05 91.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.875 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.85 -43.15 99.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.332 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.6 p -63.89 -45.39 89.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.162 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 38.6 t -63.28 -48.79 76.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 85' ' ' MET . . . . . 0.495 ' O ' ' OE1' ' C' ' 89' ' ' GLU . 53.5 ttp -57.9 -47.97 81.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.527 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.48 -44.69 96.64 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.63 78.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.016 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.408 ' HE ' ' HG ' ' C' ' 44' ' ' SER . 69.5 ttt-85 -58.42 -45.17 88.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.224 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' C' ' 85' ' ' MET . 1.2 mp0 -60.73 -44.29 96.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.126 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.39 -42.39 96.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.23 0.538 . . . . 0.0 110.029 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . 0.412 HD11 HG23 ' C' ' 91' ' ' ILE . 76.2 mt -59.78 -41.63 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.374 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 92' ' ' THR . . . . . 0.485 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 97.8 m -57.18 -45.63 83.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.08 0.467 . . . . 0.0 109.981 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.71 -43.61 96.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.48 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.7 mt -59.6 -44.12 93.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.45 -43.08 96.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.531 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.9 -40.9 90.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.722 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.04 -42.74 99.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.91 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.9 m80 -59.27 -40.62 86.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.735 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.5 tt0 -62.3 -40.85 97.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.068 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.34 -38.66 91.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.229 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.33 -42.36 96.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.339 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.7 mttp -91.32 141.81 28.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.361 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.461 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.695 0 CA-C-O 121.846 0.831 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.1 t80 -139.77 142.99 36.71 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.92 156.33 38.71 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.0 -1.063 . . . . 0.0 109.548 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.2 149.19 28.46 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.33 18.93 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.047 -1.033 . . . . 0.0 108.395 178.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.89 144.31 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.73 136.57 37.07 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.162 0.982 . . . . 0.0 110.122 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.88 114.31 24.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.85 -4.32 19.37 Favored 'General case' 0 C--N 1.264 -3.134 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.901 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.82 85.75 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 119.726 -1.859 . . . . 0.0 110.654 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.49 -47.69 12.83 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 124.802 3.668 . . . . 0.0 114.141 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.728 HD21 ' CD2' ' C' ' 52' ' ' HIS . 10.6 m120 -102.17 27.61 6.53 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 116.043 -2.263 . . . . 0.0 108.745 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 71.5 -95.18 0.6 Allowed Glycine 0 N--CA 1.497 2.732 0 C-N-CA 117.685 -2.198 . . . . 0.0 109.55 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . 0.524 ' CD1' ' O ' ' D' ' 314' ' ' LEU . 0.8 OUTLIER -170.0 57.2 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.865 -1.374 . . . . 0.0 109.521 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.457 ' O ' ' O ' ' D' ' 314' ' ' LEU . 0.4 OUTLIER -52.05 -174.89 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 117.877 -1.529 . . . . 0.0 112.13 -178.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 12.3 p -28.84 -66.78 0.08 Allowed 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -176.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' D' ' 316' ' ' THR . 37.9 ttt-85 -42.67 -66.97 0.37 Allowed Pre-proline 0 N--CA 1.493 1.718 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.495 -177.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.37 -32.17 61.24 Favored 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.568 1.512 . . . . 0.0 111.534 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.87 86.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.254 -0.903 . . . . 0.0 109.451 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.73 72.75 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.97 -39.37 93.97 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 118.024 -1.471 . . . . 0.0 109.503 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.67 -45.34 93.23 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 122.593 1.187 . . . . 0.0 108.705 -177.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.63 -42.24 95.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.276 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.726 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.404 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 60.0 mttm -63.83 -40.24 96.12 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.323 -0.861 . . . . 0.0 109.811 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.465 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.75 80.0 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.473 -0.767 . . . . 0.0 109.578 177.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.04 91.76 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.575 -1.328 . . . . 0.0 109.426 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.23 -16.29 43.56 Favored 'General case' 0 N--CA 1.511 2.577 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.51 86.1 Favored Glycine 0 N--CA 1.479 1.543 0 O-C-N 119.905 -1.747 . . . . 0.0 109.318 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.25 32.97 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.242 -1.74 . . . . 0.0 110.013 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.53 -30.17 59.68 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.193 -0.942 . . . . 0.0 112.285 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.66 158.52 9.97 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 119.742 -1.849 . . . . 0.0 112.81 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.19 35.3 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 102.85 -3.018 . . . . 0.0 102.85 171.224 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.67 136.61 60.31 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 CA-C-O 122.185 0.993 . . . . 0.0 109.325 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.409 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.96 143.17 51.02 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 123.137 1.446 . . . . 0.0 109.991 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.409 ' N ' HG23 ' D' ' 334' ' ' THR . 86.2 t -108.01 129.99 61.26 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 N-CA-C 105.507 -2.034 . . . . 0.0 105.507 173.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.52 119.6 26.41 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.838 -1.164 . . . . 0.0 108.927 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.57 122.57 39.18 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.921 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.86 38.86 24.53 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.899 -1.126 . . . . 0.0 112.762 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 11.02 83.55 Favored Glycine 0 N--CA 1.503 3.106 0 O-C-N 119.95 -1.719 . . . . 0.0 112.534 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.27 54.54 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.79 158.57 33.02 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-O 123.802 1.763 . . . . 0.0 112.448 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.4 31.39 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.442 -2.163 . . . . 0.0 108.581 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.64 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 7.9 t -70.61 136.08 48.91 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 173.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.07 -6.76 47.7 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 120.751 -1.218 . . . . 0.0 110.691 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.64 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.48 12.9 31.76 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.59 -1.319 . . . . 0.0 109.406 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.0 t -133.01 104.19 6.42 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.158 0.98 . . . . 0.0 110.106 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.22 -37.89 72.92 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.007 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -58.92 -51.3 70.65 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.549 -1.345 . . . . 0.0 113.05 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.45 70.48 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.588 -1.945 . . . . 0.0 109.199 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 mt -62.72 -33.81 75.87 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.965 -1.094 . . . . 0.0 109.902 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.552 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.72 -10.32 51.49 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.636 -0.665 . . . . 0.0 109.973 -177.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.3 p -89.84 -7.69 53.73 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 118.052 -1.459 . . . . 0.0 110.961 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.33 159.36 15.3 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.248 -0.907 . . . . 0.0 110.197 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.82 2.97 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 106.897 -2.481 . . . . 0.0 106.897 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 78.1 mt -119.59 47.44 1.71 Allowed 'General case' 0 C--N 1.309 -1.18 0 O-C-N 120.726 -1.456 . . . . 0.0 107.431 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 5.0 p -81.49 172.48 13.46 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.196 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.62 140.91 57.23 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.851 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.22 79.01 Favored Glycine 0 N--CA 1.5 2.931 0 C-N-CA 120.029 -1.082 . . . . 0.0 111.35 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.45 135.95 34.05 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.917 -1.343 . . . . 0.0 110.601 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.3 t -96.49 123.72 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.3 m -112.22 160.11 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 117.328 -1.749 . . . . 0.0 110.578 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.3 m -108.89 128.38 54.87 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.536 -1.352 . . . . 0.0 107.646 175.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.83 121.36 60.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 176.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.21 50.7 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.63 153.4 47.32 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.828 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.85 6.44 Favored 'General case' 0 C--N 1.288 -2.093 0 C-N-CA 118.561 -1.255 . . . . 0.0 107.994 178.173 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.37 40.14 Favored Glycine 0 C--N 1.296 -1.658 0 C-N-CA 117.955 -2.069 . . . . 0.0 110.362 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.29 -40.7 82.62 Favored 'General case' 0 C--N 1.274 -2.675 0 CA-C-N 114.381 -0.909 . . . . 0.0 112.16 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.7 3.57 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 115.864 -2.334 . . . . 0.0 108.59 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.45 65.71 Favored 'General case' 0 N--CA 1.522 3.138 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -174.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.42 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.69 26.86 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 119.619 -1.925 . . . . 0.0 110.926 -176.59 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.787 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.47 -40.77 98.01 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 106.978 -1.489 . . . . 0.0 106.978 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.55 77.45 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 117.478 -1.689 . . . . 0.0 110.054 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.84 -42.15 88.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-O 122.172 0.987 . . . . 0.0 109.295 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.89 -47.93 76.52 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-O 122.097 0.951 . . . . 0.0 108.708 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.787 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.85 -38.27 76.41 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.684 -178.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.69 -28.57 58.7 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.331 -1.481 . . . . 0.0 110.839 -174.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.52 71.08 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.22 63.04 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.465 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.24 -45.26 84.09 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 119.044 -1.062 . . . . 0.0 110.485 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.34 -37.38 85.44 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.924 -1.11 . . . . 0.0 111.558 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.66 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.132 -0.98 . . . . 0.0 110.275 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.88 -32.24 45.82 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.575 -0.703 . . . . 0.0 111.354 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.14 125.5 12.44 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 124.302 2.001 . . . . 0.0 112.843 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.901 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.4 mm-40 . . . . . 0 C--N 1.277 -2.557 0 CA-C-N 111.055 -2.793 . . . . 0.0 110.15 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.36 -46.33 80.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.919 0.39 . . . . 1.94 110.276 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -67.72 -37.08 81.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.276 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.5 -42.3 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.427 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.0 t -60.49 -44.34 96.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.912 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.7 mtp -58.94 -42.42 89.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.514 -0.55 . . . . 1.04 109.514 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.21 -41.98 98.11 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.2 -43.33 98.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.14 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.16 -44.43 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 1.05 109.733 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.421 HG21 HD11 ' A' ' 13' ' ' ILE . 85.5 mt -63.75 -43.93 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.02 109.955 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -61.49 -46.28 90.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.786 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -61.05 -43.56 98.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.951 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.58 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -64.02 -44.82 95.34 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.134 -1.187 . . . . 0.0 110.134 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -63.51 -44.25 94.86 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.1 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.868 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.52 -46.74 87.98 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.8 m -55.13 -44.74 75.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.72 -42.81 97.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.724 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.21 -51.37 70.27 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.52 -41.29 89.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.587 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.85 89.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.775 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.69 88.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.671 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.12 -45.1 96.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.477 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.56 -42.34 74.53 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.74 -40.9 94.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.823 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.45 94.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.689 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.6 -28.7 69.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.187 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.9 -4.67 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.447 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.51 59.93 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -102.32 77.93 1.7 Allowed 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.75 0.31 . . . . 0.0 110.246 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CE1' ' OE1' ' A' ' 99' ' ' GLU . 91.7 m-85 -65.21 -33.79 76.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.652 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.02 -48.34 79.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.115 0.483 . . . . 0.0 110.745 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.31 80.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.369 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.25 77.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.606 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.21 -43.83 98.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.63 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.65 98.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.821 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.1 mtt -65.4 -40.3 93.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.455 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.454 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 89.3 mmm -63.62 -41.4 98.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.59 -45.24 93.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.032 0.444 . . . . 0.0 110.555 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.9 -41.5 97.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.247 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 m -61.4 -45.37 94.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HA ' HH11 ' A' ' 88' ' ' ARG . 70.9 ttt180 -60.82 -42.74 98.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.306 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.77 -44.22 97.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.209 0.528 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.0 -39.97 90.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.758 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.16 -42.71 95.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.267 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.74 -39.26 93.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.198 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -44.25 77.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.462 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -62.08 -38.83 90.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.13 110.363 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.6 mt -60.65 -44.23 96.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.347 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.16 -43.3 95.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 0.0 110.013 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -60.13 -43.34 95.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.221 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.6 m -57.03 -42.84 81.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 1.03 109.979 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.6 -39.41 93.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.956 0.408 . . . . 0.0 110.56 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.97 -28.28 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.687 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -89.87 -31.17 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 1.01 110.8 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.601 179.875 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.522 -0.12 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.06 -42.02 84.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.596 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.4 -46.53 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.896 0.379 . . . . 0.0 110.551 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.09 -42.42 96.94 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.996 0.427 . . . . 1.03 110.879 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.93 -47.08 93.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.793 -0.64 . . . . 1.12 110.233 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -60.15 -45.26 93.67 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.29 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.81 89.87 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.772 0.32 . . . . 1.01 110.6 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -61.97 -39.91 93.78 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 116.179 -0.464 . . . . 1.89 110.17 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.8 tp -56.22 -46.54 79.48 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.375 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 83' ' ' THR . 73.8 m-70 -67.68 -46.17 73.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.296 -0.411 . . . . 0.13 110.723 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.06 -46.56 88.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.782 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.425 ' SD ' ' CD2' ' B' ' 79' ' ' LEU . 80.7 mtp -61.07 -43.91 98.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.195 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 20.7 p -61.27 -44.45 97.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.109 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.0 t -62.76 -47.75 82.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.452 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.21 -48.11 79.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.449 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.04 -44.15 97.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.924 0.392 . . . . 0.0 110.16 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -46.2 89.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.819 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.403 HH11 ' HA ' ' A' ' 45' ' ' ARG . 55.2 ttp180 -58.48 -46.69 86.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.141 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.5 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 98.1 mt-10 -61.74 -43.56 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.017 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.55 -43.38 94.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.197 0.522 . . . . 0.0 109.96 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.403 HD12 HG21 ' A' ' 91' ' ' ILE . 77.6 mt -61.04 -42.92 94.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.318 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.454 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 20.0 m -57.03 -46.11 82.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.433 . . . . 0.0 109.85 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.428 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 99.4 mt-10 -63.38 -42.66 98.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.537 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.2 mt -60.05 -42.78 95.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.405 HD11 HG22 ' A' ' 95' ' ' ILE . 86.3 mt -60.57 -42.79 92.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.552 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.572 ' OE1' ' NZ ' ' B' ' 30' ' ' LYS . 85.2 tt0 -63.24 -37.62 87.95 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.38 -41.45 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.901 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -60.4 -39.3 86.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.563 ' OE1' ' CE1' ' A' ' 34' ' ' PHE . 50.7 tp10 -59.56 -39.16 83.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.167 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.02 -35.38 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.189 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.406 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 CA--C 1.521 -0.173 0 CA-C-O 120.587 0.232 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.32 -46.44 80.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 1.94 110.292 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -67.6 -36.98 81.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.18 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.53 -42.58 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.31 -44.29 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.873 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.7 mtp -59.19 -42.08 90.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.561 -0.533 . . . . 1.05 109.561 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.52 -41.84 97.75 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.4 -43.02 98.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.737 0.303 . . . . 0.0 110.302 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.64 -44.23 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 1.08 109.672 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.436 HD11 HG21 ' B' ' 13' ' ' ILE . 86.4 mt -63.67 -44.15 98.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 1.02 109.921 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -61.22 -46.24 91.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.808 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -61.31 -43.59 98.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.109 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.87 -44.48 96.05 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -63.79 -44.49 93.21 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.13 74.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.955 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.35 -46.68 87.94 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -55.29 -44.59 75.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.87 -42.94 97.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.664 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.07 -51.37 70.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.5 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.3 m-85 -59.4 -41.35 89.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.701 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.4 89.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.782 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.47 86.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.619 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.67 -44.84 96.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.327 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.87 -42.0 75.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.75 -41.25 95.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.857 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.59 93.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.673 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' OE1' ' A' ' 96' ' ' GLU . 68.0 mttm -61.51 -28.96 69.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.047 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -81.79 -4.77 57.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.98 17.31 59.68 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -102.43 77.62 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 0.0 110.257 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.57 ' CE1' ' OE1' ' B' ' 99' ' ' GLU . 91.9 m-85 -64.92 -34.05 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.77 77.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.012 0.434 . . . . 0.0 110.766 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.21 80.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.455 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.19 77.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.502 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.48 -43.86 98.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.556 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.03 97.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.17 -40.49 94.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.448 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 89.8 mmm -63.45 -41.55 98.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.584 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.44 -45.4 93.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.481 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.81 -41.18 97.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.293 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -61.95 -45.24 94.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.491 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.406 ' HA ' HH11 ' B' ' 88' ' ' ARG . 70.3 ttt180 -60.72 -42.8 97.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.247 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 66.2 ttp -60.63 -44.35 96.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.312 0.577 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.41 98.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.129 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.91 -39.97 91.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.745 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.22 -42.72 95.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.38 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.55 -39.38 93.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.191 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.37 78.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.462 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -62.2 -38.68 90.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.13 110.253 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.82 -44.05 97.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.398 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.23 -43.32 95.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.958 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.07 -43.52 95.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 99.6 m -56.98 -42.8 80.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 1.03 109.991 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -39.24 93.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.12 -28.11 69.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.739 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -89.71 -31.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 1.01 110.721 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 -179.768 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 121.115 0.483 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.42 -41.62 94.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.626 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.47 -45.46 97.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.608 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.98 -41.67 95.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 1.03 110.962 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.2 -47.27 92.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.843 -0.617 . . . . 1.12 110.296 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' HIS . . . . . 0.456 ' CE1' ' CD2' ' B' ' 80' ' ' HIS . 59.2 t-80 -59.92 -45.76 91.55 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.838 -0.345 . . . . 2.11 110.325 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.89 92.02 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.895 0.378 . . . . 1.01 110.41 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -62.24 -40.45 96.21 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.12 -0.491 . . . . 1.89 110.271 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.425 ' CD2' ' SD ' ' A' ' 82' ' ' MET . 40.7 tp -55.61 -46.55 77.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.336 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.456 ' CD2' ' CE1' ' B' ' 76' ' ' HIS . 74.6 m-70 -67.69 -46.4 72.39 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.763 -0.375 . . . . 0.14 110.705 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.77 -46.78 88.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.797 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' MET . . . . . 0.422 ' SD ' ' CD2' ' C' ' 79' ' ' LEU . 80.4 mtp -60.91 -44.03 97.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.227 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 21.1 p -61.16 -44.11 97.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.152 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 43.8 t -63.15 -47.33 83.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.645 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.6 -47.92 80.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.522 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.02 -44.25 97.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 110.111 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.54 88.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.9 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.406 HH11 ' HA ' ' B' ' 45' ' ' ARG . 55.1 ttp180 -58.22 -47.1 84.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.208 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.496 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.9 mt-10 -61.25 -43.43 98.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.177 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.75 -43.33 93.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.135 0.493 . . . . 0.0 110.057 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.96 -42.84 94.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.174 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.448 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 19.5 m -57.28 -46.13 83.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.072 0.463 . . . . 0.0 109.842 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.421 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.2 mt-10 -63.19 -43.02 99.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.513 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.428 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 77.0 mt -59.58 -43.05 93.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.45 -43.12 93.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.494 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' C' ' 30' ' ' LYS . 84.9 tt0 -62.78 -38.16 89.52 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.86 -41.72 99.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.769 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -60.08 -39.69 86.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.57 ' OE1' ' CE1' ' B' ' 34' ' ' PHE . 50.9 tp10 -59.34 -39.11 82.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.088 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.14 -35.32 80.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.141 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.386 179.754 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.617 0.246 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.45 -46.31 80.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 1.94 110.376 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -67.68 -37.27 82.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.342 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.89 -42.92 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.424 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.02 -44.35 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.019 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -59.34 -41.62 89.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.608 -0.515 . . . . 1.05 109.608 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -42.18 97.42 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.88 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.325 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.08 -44.55 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 1.09 109.75 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.4 HG21 HD11 ' C' ' 13' ' ' ILE . 87.0 mt -63.66 -43.95 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.969 -0.56 . . . . 1.02 110.08 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -61.44 -45.85 92.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.798 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -61.61 -43.7 98.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.139 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.87 -44.27 96.36 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.79 -43.97 94.77 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.91 75.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.765 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -59.84 -46.44 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -55.43 -44.6 76.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.71 -43.09 97.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.723 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -51.4 70.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.496 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.41 -41.6 89.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.562 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.28 88.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 -42.66 86.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.567 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.32 -45.21 95.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.392 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.52 -42.37 74.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.88 -40.66 93.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.937 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.6 94.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.783 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' B' ' 96' ' ' GLU . 68.0 mttm -61.75 -28.95 69.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.074 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -81.32 -4.95 57.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.517 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.85 17.5 59.61 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -102.3 78.17 1.72 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.725 0.298 . . . . 0.0 110.211 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.564 ' CE1' ' OE1' ' C' ' 99' ' ' GLU . 91.1 m-85 -65.58 -33.84 76.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.509 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.22 79.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.042 0.449 . . . . 0.0 110.744 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.38 80.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.36 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.19 -48.06 77.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.473 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.41 -43.71 98.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.617 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.96 97.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.776 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.5 mtt -65.06 -40.38 94.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.465 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 89.8 mmm -63.72 -41.44 98.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.66 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.45 -45.42 93.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.368 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.0 -40.89 97.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.3 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 63.4 m -61.86 -45.49 93.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.408 ' HA ' HH11 ' C' ' 88' ' ' ARG . 70.6 ttt180 -60.57 -42.91 97.59 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.32 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.69 -44.09 96.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.308 0.575 . . . . 0.0 110.527 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.02 97.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.304 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.66 -39.87 91.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.34 -42.69 96.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.269 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.49 -39.57 94.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.004 0.43 . . . . 0.0 110.004 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -44.39 77.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.421 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -61.82 -38.76 89.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.14 110.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.22 -43.59 98.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.314 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.64 -43.03 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.922 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -60.21 -43.7 95.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.233 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 99.1 m -56.96 -42.84 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 1.03 110.174 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.58 -39.1 92.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 110.506 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.95 -28.36 70.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.811 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -89.7 -31.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.977 -0.556 . . . . 1.01 110.831 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.539 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.505 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.635 0.255 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 59.3 t -64.29 -46.35 93.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 130.153 3.381 . . . . 0.0 110.627 -178.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.52 -41.72 88.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.222 -0.444 . . . . 1.03 111.004 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.11 -48.09 89.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.821 -0.627 . . . . 1.13 110.255 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' HIS . . . . . 0.446 ' CE1' ' CD2' ' C' ' 80' ' ' HIS . 59.1 t-80 -59.74 -45.55 91.86 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.914 -0.314 . . . . 1.96 110.268 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.58 91.41 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.934 0.397 . . . . 1.01 110.412 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -62.4 -39.79 94.4 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.243 -0.435 . . . . 1.89 110.244 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . 0.422 ' CD2' ' SD ' ' B' ' 82' ' ' MET . 40.6 tp -56.26 -46.67 79.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.426 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.446 ' CD2' ' CE1' ' C' ' 76' ' ' HIS . 74.7 m-70 -67.63 -46.34 72.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.325 -0.398 . . . . 0.13 110.64 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.81 -46.57 88.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.796 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 80.1 mtp -61.15 -43.63 98.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 21.2 p -61.58 -43.94 97.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.192 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.5 t -63.31 -47.36 82.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -57.39 -48.09 79.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.504 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.14 -44.32 97.52 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.148 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.62 87.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.01 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.408 HH11 ' HA ' ' C' ' 45' ' ' ARG . 55.3 ttp180 -58.02 -47.47 82.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.248 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.8 -43.64 97.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.156 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.69 -43.67 92.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.158 0.504 . . . . 0.0 109.98 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.8 mt -60.52 -42.86 92.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.423 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 92' ' ' THR . . . . . 0.465 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 19.4 m -57.32 -45.95 83.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.024 0.44 . . . . 0.0 109.963 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.47 -42.96 98.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.521 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.421 ' CD1' ' OE1' ' B' ' 93' ' ' GLU . 75.8 mt -59.44 -43.02 93.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.4 -43.37 93.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.588 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.42 -38.19 88.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.713 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.79 -41.86 99.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.879 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -59.82 -39.75 86.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.711 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . 0.564 ' OE1' ' CE1' ' C' ' 34' ' ' PHE . 50.6 tp10 -59.5 -39.15 82.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.094 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.97 -35.2 79.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.245 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 88.9 mt -81.88 -3.15 53.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 57.26 24.97 10.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.564 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.513 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.66 0 CA-C-O 121.908 0.861 . . . . 0.0 108.944 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.74 143.04 36.8 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.31 38.51 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.96 -1.088 . . . . 0.0 109.537 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.18 28.52 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.4 18.89 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.999 -1.063 . . . . 0.0 108.396 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.89 144.35 19.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.7 136.61 36.98 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.126 0.965 . . . . 0.0 110.116 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.97 114.33 24.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.92 -4.28 19.31 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.893 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.87 85.85 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.644 -1.91 . . . . 0.0 110.579 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.51 -47.69 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 124.812 3.674 . . . . 0.0 114.137 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -102.18 27.62 6.52 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 116.039 -2.265 . . . . 0.0 108.775 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.82 -123.11 21.44 Favored Glycine 0 N--CA 1.496 2.681 0 C-N-CA 117.638 -2.22 . . . . 0.0 109.63 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.16 80.94 1.91 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.914 -1.345 . . . . 0.0 109.485 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.428 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.3 OUTLIER -88.06 175.61 7.67 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 117.88 -1.528 . . . . 0.0 112.071 -179.353 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 11.4 p -22.04 -66.51 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.58 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 9.3 ttt-85 -48.52 -65.68 0.73 Allowed Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 120.139 -0.625 . . . . 0.0 112.493 -177.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.428 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.8 Cg_endo -64.78 -32.21 56.66 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 121.26 1.306 . . . . 0.0 111.513 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.8 86.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.233 -0.917 . . . . 0.0 109.518 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.82 72.58 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -63.93 -39.45 94.19 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.026 -1.47 . . . . 0.0 109.441 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.536 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.62 -45.39 93.06 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.627 1.203 . . . . 0.0 108.7 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.54 -42.37 95.6 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.32 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.609 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -63.75 -40.41 96.64 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.247 -0.908 . . . . 0.0 109.796 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.468 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.68 -39.77 80.42 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.464 -0.773 . . . . 0.0 109.597 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.99 -44.09 91.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.655 -1.278 . . . . 0.0 109.392 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.25 -16.27 43.62 Favored 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.63 86.03 Favored Glycine 0 N--CA 1.478 1.491 0 O-C-N 119.939 -1.726 . . . . 0.0 109.338 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.415 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.45 143.35 32.82 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.262 -1.728 . . . . 0.0 110.046 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.6 p -75.53 -30.07 59.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.178 -0.951 . . . . 0.0 112.394 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.73 158.6 10.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 119.855 -1.778 . . . . 0.0 112.761 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.27 35.34 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 102.782 -3.044 . . . . 0.0 102.782 171.263 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.68 60.11 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 CA-C-O 122.253 1.025 . . . . 0.0 109.289 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.411 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.96 143.18 51.02 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-O 123.089 1.423 . . . . 0.0 109.98 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.411 ' N ' HG23 ' D' ' 334' ' ' THR . 86.0 t -108.13 129.97 61.47 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.691 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 173.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.2 m -127.46 119.56 26.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.927 -1.108 . . . . 0.0 108.935 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.63 39.34 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.926 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.67 38.98 24.22 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.857 -1.152 . . . . 0.0 112.798 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 11.09 83.5 Favored Glycine 0 N--CA 1.503 3.123 0 O-C-N 119.91 -1.744 . . . . 0.0 112.5 177.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.3 54.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.76 158.52 33.1 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-O 123.781 1.753 . . . . 0.0 112.432 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.39 31.41 Favored 'General case' 0 C--N 1.279 -2.5 0 CA-C-N 112.539 -2.119 . . . . 0.0 108.621 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.634 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.61 135.92 48.79 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 173.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.91 -6.81 47.65 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.658 -1.277 . . . . 0.0 110.731 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.634 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.5 12.97 31.55 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.698 -1.251 . . . . 0.0 109.408 -177.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.9 t -133.08 104.18 6.39 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 122.232 1.015 . . . . 0.0 110.193 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.5 tp -57.26 -37.88 73.01 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.952 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -58.95 -51.3 70.64 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.566 -1.334 . . . . 0.0 113.057 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.47 70.66 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 119.542 -1.974 . . . . 0.0 109.205 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.85 -33.8 76.01 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.896 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.539 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.1 tp60 -67.57 -10.48 52.24 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.634 -0.666 . . . . 0.0 109.929 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 30.9 p -89.81 -7.65 53.87 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 118.124 -1.43 . . . . 0.0 110.931 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.8 mt -93.4 159.29 15.32 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.208 -0.932 . . . . 0.0 110.152 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.86 2.97 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 106.916 -2.474 . . . . 0.0 106.916 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.58 47.42 1.71 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.668 -1.489 . . . . 0.0 107.387 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.0 p -81.42 172.5 13.46 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.222 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.68 140.92 57.3 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.893 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.38 -3.16 79.13 Favored Glycine 0 N--CA 1.501 2.99 0 C-N-CA 120.031 -1.081 . . . . 0.0 111.351 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.43 135.88 34.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.88 -1.365 . . . . 0.0 110.593 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.47 123.75 48.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 106.355 -1.721 . . . . 0.0 106.355 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.23 160.0 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 C-N-CA 117.427 -1.709 . . . . 0.0 110.631 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.87 128.44 54.91 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.598 -1.314 . . . . 0.0 107.592 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.88 121.37 60.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.31 50.71 Favored 'General case' 0 C--N 1.285 -2.223 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 -179.548 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.5 47.2 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.67 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.77 6.4 Favored 'General case' 0 C--N 1.288 -2.07 0 C-N-CA 118.567 -1.253 . . . . 0.0 108.015 178.16 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.37 40.16 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 118.074 -2.013 . . . . 0.0 110.372 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.24 -40.7 82.41 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.418 -0.891 . . . . 0.0 112.224 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 115.897 -2.321 . . . . 0.0 108.583 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -33.58 65.77 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 -174.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.405 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.97 -45.6 26.97 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.593 -1.942 . . . . 0.0 110.925 -176.486 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.7 97.72 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.49 77.66 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 117.462 -1.695 . . . . 0.0 110.006 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.81 -42.21 88.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-O 122.185 0.993 . . . . 0.0 109.29 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.88 -47.94 76.48 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 122.037 0.922 . . . . 0.0 108.743 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.74 -38.38 76.82 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.696 -178.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.536 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.6 -28.6 58.96 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.389 -1.444 . . . . 0.0 110.9 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.58 71.27 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.39 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.8 -49.28 63.22 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.468 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.3 -45.17 84.44 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.004 -1.078 . . . . 0.0 110.52 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.36 -37.39 85.51 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.93 -1.106 . . . . 0.0 111.508 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.85 61.61 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.059 -1.025 . . . . 0.0 110.21 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.81 -32.34 46.26 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.496 -0.753 . . . . 0.0 111.369 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.48 12.32 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 124.288 1.994 . . . . 0.0 112.859 178.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.893 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.565 0 CA-C-N 111.139 -2.755 . . . . 0.0 110.184 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.52 139.86 58.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.4 mt-10 -60.4 134.85 57.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.468 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 3' ' ' GLU . 62.7 mt -38.39 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.422 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.87 -47.13 78.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.963 0.411 . . . . 1.94 110.285 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.9 tt0 -67.53 -35.51 79.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.266 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.12 -43.11 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.82 -44.35 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.906 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.14 -42.56 90.96 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.509 -0.552 . . . . 1.04 109.509 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.88 97.38 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.94 -42.69 99.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.391 . . . . 0.0 110.202 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.02 -44.27 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 1.05 109.763 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.429 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 86.9 mt -63.54 -43.99 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 1.02 110.02 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.01 -46.43 90.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.771 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -59.93 -44.67 94.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.963 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.01 -41.93 99.7 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.44 -44.08 95.56 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.64 -48.85 78.32 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.853 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.89 -45.93 92.64 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -55.42 -43.77 75.64 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.22 -41.99 98.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.721 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.92 77.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.49 -41.35 89.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.617 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.33 89.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.775 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.36 90.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.671 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.23 -45.63 93.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.369 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.692 ' NZ ' ' NE2' ' A' ' 31' ' ' GLN . 66.4 tttm -55.08 -43.17 73.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.42 -41.95 90.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.763 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.4 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.684 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.19 -30.04 70.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.149 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.692 ' NE2' ' NZ ' ' A' ' 27' ' ' LYS . 88.3 mt-30 -82.98 -4.46 58.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.435 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.51 17.72 67.94 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -99.78 79.52 2.24 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.792 0.33 . . . . 0.0 110.301 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.6 -33.87 76.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.664 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.97 81.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.027 0.442 . . . . 0.0 110.763 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.1 79.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.351 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.92 81.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.578 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -61.1 -43.02 99.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.597 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.6 99.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.758 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.1 mtt -65.72 -41.96 91.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.469 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.3 mtm -64.14 -41.35 97.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.667 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.41 -45.45 93.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.491 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.86 -40.76 97.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.5 m -61.22 -45.45 94.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.517 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -61.11 -42.38 98.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.267 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.71 -43.54 97.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.197 0.522 . . . . 0.0 110.611 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.89 99.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.24 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.97 -39.86 94.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.58 -42.2 98.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.24 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.04 -40.54 91.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.215 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.39 -43.76 80.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.445 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.66 -38.16 89.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.13 110.387 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.09 -44.18 97.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.313 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.4 -43.19 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.04 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.444 ' NE2' ' CB ' ' A' ' 77' ' ' ALA . 11.8 tp-100 -60.27 -42.94 96.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.226 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -57.08 -42.6 81.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 1.03 110.062 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -62.19 -38.52 89.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.985 0.422 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.96 -30.11 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.67 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.443 ' CD1' HE21 ' A' ' 78' ' ' GLN . 84.6 mt -83.7 -32.98 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.049 -0.523 . . . . 1.01 110.885 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -85.23 -7.06 59.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.69 116.86 0.75 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.573 ' CG ' ' H ' ' A' ' 63' ' ' ALA . 68.2 t0 -158.25 -121.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.56 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.573 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . -65.87 147.39 53.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.496 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.92 -81.37 1.35 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -63.24 128.86 37.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.898 0.38 . . . . 0.0 110.689 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.8 29.42 74.72 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -53.64 123.37 12.03 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.738 0.304 . . . . 0.0 110.42 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -103.89 136.76 42.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.653 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.533 ' NZ ' ' OE1' ' B' ' 5' ' ' GLU . 53.0 mtmt -62.89 -44.92 94.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.56 126.57 62.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.676 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 p -128.1 161.2 29.78 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.4 mt -57.41 -45.89 84.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.613 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.19 -47.39 90.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.913 0.387 . . . . 0.0 110.598 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.81 -41.81 97.82 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 116.204 -0.453 . . . . 1.03 110.886 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.87 -47.7 90.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.766 -0.652 . . . . 1.12 110.201 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.606 ' HD1' ' CG2' ' C' ' 70' ' ' VAL . 1.3 t-160 -58.99 -46.26 88.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.832 0.349 . . . . 0.0 110.355 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' CB ' ' NE2' ' A' ' 55' ' ' GLN . . . -64.42 -44.06 92.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.434 -0.348 . . . . 1.01 110.634 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.443 HE21 ' CD1' ' A' ' 59' ' ' ILE . 84.6 mt-30 -61.99 -40.1 94.47 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.256 -0.429 . . . . 1.89 110.2 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.1 tp -56.99 -46.47 82.22 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.374 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.611 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 77.7 m-70 -67.79 -46.7 71.21 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.679 -0.408 . . . . 0.13 110.734 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.7 -46.13 91.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.839 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.488 ' SD ' ' CD2' ' B' ' 79' ' ' LEU . 80.1 mtp -63.43 -42.9 98.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.212 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.477 ' HG1' ' H ' ' A' ' 84' ' ' SER . 20.2 p -64.41 -48.39 75.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.09 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.477 ' H ' ' HG1' ' A' ' 83' ' ' THR . 11.5 t -61.45 -49.11 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.465 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 tpp -57.67 -47.78 81.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.592 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.9 -44.75 96.15 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.027 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -48.16 82.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.9 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -58.44 -45.39 88.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.12 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.1 mt-10 -61.33 -43.66 98.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.042 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.23 -42.77 96.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.156 0.503 . . . . 0.0 109.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.1 mt -60.43 -42.49 91.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.278 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.0 m -57.53 -46.02 84.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.057 0.456 . . . . 0.0 109.904 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.425 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 99.5 mt-10 -63.35 -43.2 98.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.594 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.32 -42.84 92.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.368 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.62 -42.72 95.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.482 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.96 -39.22 88.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.28 -42.27 99.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.91 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -59.33 -39.59 83.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 103' ' ' ALA . 83.9 tt0 -60.73 -41.93 96.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.175 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.58 -37.72 88.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.186 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt -64.78 -41.48 95.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.421 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -92.23 -5.92 51.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.496 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.97 139.64 58.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.1 mt-10 -60.3 135.01 57.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.426 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' B' ' 3' ' ' GLU . 61.9 mt -38.56 -36.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.504 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.533 ' OE1' ' NZ ' ' A' ' 69' ' ' LYS . 79.2 mm-40 -64.93 -46.97 79.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.931 0.396 . . . . 1.94 110.396 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.3 tt0 -67.69 -35.5 78.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.215 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.06 -43.24 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.91 -44.3 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.889 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.12 -42.24 90.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.506 -0.553 . . . . 1.05 109.506 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.32 -41.51 96.59 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.13 -42.27 99.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.828 0.347 . . . . 0.0 110.363 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.57 -44.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 1.08 109.657 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.416 HD13 HG23 ' B' ' 13' ' ' ILE . 88.2 mt -63.24 -44.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.991 -0.55 . . . . 1.02 109.939 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -60.77 -46.75 89.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.772 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 12.0 t -59.36 -44.66 92.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.191 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.35 -42.09 99.72 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.15 -43.55 98.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.08 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.845 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.53 -45.66 93.0 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -55.75 -43.61 76.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.21 -42.22 99.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.652 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.23 -48.73 78.09 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.414 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.0 m-85 -59.45 -41.36 89.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.669 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.12 90.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.697 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.32 90.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.6 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.55 -45.19 95.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.319 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.686 ' NZ ' ' NE2' ' B' ' 31' ' ' GLN . 66.4 tttm -55.59 -43.0 75.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -59.75 -41.46 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.869 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.49 91.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.776 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.18 -30.15 70.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.044 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.686 ' NE2' ' NZ ' ' B' ' 27' ' ' LYS . 88.3 mt-30 -82.82 -4.75 58.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.77 18.06 66.55 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -100.01 78.98 2.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.32 . . . . 0.0 110.326 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -64.49 -33.71 76.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.543 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.33 80.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.02 79.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.418 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.1 80.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.512 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -60.89 -43.32 98.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.524 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.95 99.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.737 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 60.8 mtt -65.47 -42.15 92.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 74.2 mtm -63.75 -41.77 97.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.63 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.26 -45.37 93.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.446 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.66 -41.2 98.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.31 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.8 m -60.8 -45.9 92.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.479 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -60.68 -42.27 96.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.358 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.77 -43.8 97.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.345 0.593 . . . . 0.0 110.671 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.95 99.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.115 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.92 -39.62 93.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.75 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.85 -42.06 98.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.322 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.06 -40.67 91.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.209 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.12 -44.11 80.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.418 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.51 -38.17 88.88 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.13 110.261 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.04 -43.96 98.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.32 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.63 -43.2 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.119 0.485 . . . . 0.0 110.003 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.463 ' NE2' ' CB ' ' B' ' 77' ' ' ALA . 11.7 tp-100 -60.45 -42.67 96.6 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.256 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -57.58 -42.37 83.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 1.03 109.964 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -62.09 -38.91 90.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 0.0 110.531 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.45 -30.45 71.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.747 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.44 ' CD1' HE21 ' B' ' 78' ' ' GLN . 83.6 mt -83.4 -33.0 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.035 -0.529 . . . . 1.01 110.771 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -85.44 -6.75 59.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.8 116.6 0.74 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.567 ' CG ' ' H ' ' B' ' 63' ' ' ALA . 68.1 t0 -158.41 -121.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.513 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.567 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . -65.73 147.13 53.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.472 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.82 -81.39 1.34 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -63.15 128.52 36.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.31 29.59 75.45 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.97 123.8 13.62 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.628 0.252 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -104.41 136.85 43.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.692 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.511 ' NZ ' ' OE1' ' C' ' 5' ' ' GLU . 52.6 mtmt -63.06 -44.62 95.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -107.38 126.07 63.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.778 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 12.6 p -127.3 163.7 23.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.572 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.42 -45.57 93.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.569 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.38 -46.54 95.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.617 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.32 -41.42 96.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 1.03 110.97 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.09 -47.33 92.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.768 -0.651 . . . . 1.12 110.249 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.553 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 58.7 t-80 -59.5 -46.16 89.63 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.866 -0.334 . . . . 2.11 110.297 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.463 ' CB ' ' NE2' ' B' ' 55' ' ' GLN . . . -64.09 -44.21 93.02 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.942 0.401 . . . . 1.01 110.457 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.44 HE21 ' CD1' ' B' ' 59' ' ' ILE . 85.0 mt-30 -62.15 -40.42 95.91 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 116.141 -0.482 . . . . 1.89 110.194 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.488 ' CD2' ' SD ' ' A' ' 82' ' ' MET . 44.2 tp -56.67 -46.49 81.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.389 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.553 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 77.8 m-70 -68.12 -46.18 71.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.387 -0.37 . . . . 0.14 110.688 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.23 -46.21 91.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.849 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' MET . . . . . 0.485 ' SD ' ' CD2' ' C' ' 79' ' ' LEU . 80.1 mtp -63.19 -43.01 99.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.254 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.473 ' HG1' ' H ' ' B' ' 84' ' ' SER . 20.3 p -64.36 -48.3 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.473 ' H ' ' HG1' ' B' ' 83' ' ' THR . 11.2 t -61.25 -49.01 78.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.612 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpp -57.82 -48.01 80.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.469 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.63 -44.6 96.69 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.143 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.81 84.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.933 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -58.37 -45.56 88.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.186 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.9 mt-10 -61.37 -43.66 98.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.17 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.09 -42.67 96.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 110.018 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 80.5 mt -60.64 -42.32 91.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.254 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 86.1 m -57.77 -45.62 85.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.069 0.462 . . . . 0.0 109.86 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.421 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.6 mt-10 -63.8 -42.97 97.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.519 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.425 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 76.0 mt -59.48 -43.12 93.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.34 -42.92 95.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.489 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.58 -39.61 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.731 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.12 -41.98 98.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.876 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -59.5 -39.52 84.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.759 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' B' ' 103' ' ' ALA . 83.6 tt0 -60.92 -41.95 97.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.076 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.62 -37.52 87.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.215 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.83 -41.57 95.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.387 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -92.26 -6.26 50.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.61 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.559 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.97 140.1 58.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.6 mt-10 -60.67 135.13 57.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.35 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' C' ' 3' ' ' GLU . 63.0 mt -38.52 -36.9 0.27 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.415 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . 0.511 ' OE1' ' NZ ' ' B' ' 69' ' ' LYS . 79.2 mm-40 -64.87 -47.13 79.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 1.94 110.361 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.5 tt0 -67.4 -35.48 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.36 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.16 -42.96 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.337 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t -60.91 -44.27 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.032 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.7 mtp -59.26 -42.29 90.8 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.616 -0.513 . . . . 1.05 109.616 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -41.74 97.1 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 38.6 mt -63.0 -42.88 99.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.342 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.0 -44.13 99.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 1.09 109.727 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.38 -43.95 98.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.049 -0.523 . . . . 1.02 110.033 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.19 -46.3 91.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.791 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.93 -44.55 94.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.126 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.41 -42.2 99.72 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.94 -43.84 97.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -49.3 77.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.748 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.64 -45.46 93.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 67.1 m -55.64 -44.21 76.92 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.74 -42.19 98.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.784 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -48.88 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.425 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.3 m-85 -59.52 -41.23 89.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.537 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.38 90.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.71 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.12 91.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.581 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.56 -45.13 95.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.371 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . 0.681 ' NZ ' ' NE2' ' C' ' 31' ' ' GLN . 66.4 tttm -55.68 -42.67 75.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -60.11 -40.99 91.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.92 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.86 92.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.805 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.92 -30.26 70.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.049 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.681 ' NE2' ' NZ ' ' C' ' 27' ' ' LYS . 88.3 mt-30 -82.52 -5.07 58.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.475 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.06 18.15 65.66 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.17 79.27 2.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.722 0.296 . . . . 0.0 110.318 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -64.79 -33.74 76.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.558 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.24 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.986 0.422 . . . . 0.0 110.617 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.37 -34.78 79.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.07 80.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.541 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -60.95 -43.33 98.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.601 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.26 99.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.39 -42.06 93.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 73.8 mtm -63.86 -41.78 97.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.638 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.36 -45.48 92.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.415 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.57 -40.85 98.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.288 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -61.18 -45.52 94.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.531 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -61.26 -41.77 97.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.319 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -61.06 -43.83 98.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.343 0.592 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.99 99.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.367 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.97 -39.47 93.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.731 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -62.27 -41.72 98.72 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.35 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.22 -40.77 90.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.95 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.31 -43.84 80.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.421 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.592 ' CD2' ' OD1' ' D' ' 312' ' ' ASN . 84.3 t60 -62.66 -38.26 89.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.14 110.282 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.09 -43.93 98.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.357 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.55 -43.25 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.963 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.467 ' NE2' ' CB ' ' C' ' 77' ' ' ALA . 11.7 tp-100 -60.26 -43.05 96.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.27 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -57.2 -42.46 81.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 1.03 110.147 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -62.21 -38.4 89.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.916 0.388 . . . . 0.0 110.513 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.79 -30.35 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.77 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.429 ' CD1' HE21 ' C' ' 78' ' ' GLN . 82.8 mt -83.5 -32.94 9.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.942 -0.572 . . . . 1.01 110.88 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 80.1 mm-40 -85.4 -6.77 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.428 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.7 116.52 0.73 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' C' ' 63' ' ' ALA . 68.3 t0 -158.48 -121.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 110.422 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.571 ' H ' ' CG ' ' C' ' 62' ' ' ASP . . . -65.73 146.96 54.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.468 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.71 -80.94 1.34 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -63.53 128.47 35.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 0.0 110.601 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.39 29.33 74.77 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -53.44 123.62 12.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 110.534 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -104.46 136.83 43.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.59 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -63.02 -44.61 95.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.606 ' CG2' ' HD1' ' A' ' 76' ' ' HIS . 18.4 t -107.1 125.8 63.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.786 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 13.4 p -126.31 165.71 18.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.503 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.88 -44.65 96.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.705 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.81 -47.21 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 130.213 3.405 . . . . 0.0 110.606 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.07 -41.42 90.77 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.075 0.464 . . . . 1.03 111.017 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.16 -48.05 89.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.78 -0.645 . . . . 1.13 110.231 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.543 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 58.6 t-80 -58.91 -46.69 87.3 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.867 -0.333 . . . . 1.96 110.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.467 ' CB ' ' NE2' ' C' ' 55' ' ' GLN . . . -64.03 -43.85 94.32 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 1.01 110.427 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.429 HE21 ' CD1' ' C' ' 59' ' ' ILE . 84.9 mt-30 -62.24 -40.31 95.72 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.308 -0.405 . . . . 1.89 110.235 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . 0.485 ' CD2' ' SD ' ' B' ' 82' ' ' MET . 45.9 tp -57.1 -46.12 82.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.487 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.543 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 78.0 m-70 -68.28 -46.27 70.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.3 -0.409 . . . . 0.13 110.662 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.09 -46.13 91.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.884 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 81.3 mtp -63.43 -42.87 98.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.307 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.491 ' HG1' ' H ' ' C' ' 84' ' ' SER . 20.4 p -64.35 -48.39 75.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.125 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.491 ' H ' ' HG1' ' C' ' 83' ' ' THR . 11.5 t -61.2 -49.22 78.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.558 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpp -57.52 -47.94 80.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.709 0.29 . . . . 0.0 110.557 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.7 -44.8 96.25 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.187 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.87 83.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -58.5 -45.65 88.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.198 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.96 -43.7 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.194 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.24 -43.03 96.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.134 0.492 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.24 -42.14 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.387 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 88.5 m -57.96 -45.48 86.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.068 0.461 . . . . 0.0 109.972 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.93 -42.82 97.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.504 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.421 ' CD1' ' OE1' ' B' ' 93' ' ' GLU . 77.0 mt -59.48 -43.01 93.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.48 -42.79 95.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.636 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.49 -39.9 89.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.83 -42.4 98.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.832 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -59.23 -39.7 83.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' C' ' 103' ' ' ALA . 83.4 tt0 -60.66 -42.17 96.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.094 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.4 -37.52 87.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.147 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -64.91 -41.58 95.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.35 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.31 -6.59 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 121.877 0.846 . . . . 0.0 108.95 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.72 143.06 36.84 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.06 156.31 38.5 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.984 -1.072 . . . . 0.0 109.554 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.16 149.11 28.41 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.39 18.85 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.976 -1.077 . . . . 0.0 108.41 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.84 144.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.69 136.62 36.96 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 122.142 0.973 . . . . 0.0 110.142 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -85.0 114.29 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.84 -4.29 19.42 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.896 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.62 141.77 85.48 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.629 -1.919 . . . . 0.0 110.609 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.46 -47.64 12.85 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.769 3.646 . . . . 0.0 114.156 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.592 ' OD1' ' CD2' ' C' ' 52' ' ' HIS . 99.9 m-20 -102.1 27.47 6.6 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 116.131 -2.228 . . . . 0.0 108.842 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.56 -130.03 31.18 Favored Glycine 0 N--CA 1.497 2.708 0 C-N-CA 117.734 -2.174 . . . . 0.0 109.571 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.68 77.42 1.59 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.003 -1.292 . . . . 0.0 109.51 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.06 175.04 9.79 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 117.867 -1.533 . . . . 0.0 112.153 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.54 ' OG1' ' O2 ' ' D' ' 200' ' ' PO3 . 65.5 p -22.98 -69.99 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 117.257 2.318 . . . . 0.0 117.257 -176.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -44.8 -65.47 0.62 Allowed Pre-proline 0 N--CA 1.494 1.727 0 C-N-CA 120.141 -0.624 . . . . 0.0 112.553 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.49 -32.21 59.87 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 C-N-CA 121.865 1.71 . . . . 0.0 111.473 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.88 86.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.153 -0.967 . . . . 0.0 109.485 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.73 72.59 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.9 -39.39 94.08 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.975 -1.49 . . . . 0.0 109.551 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.542 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.36 93.17 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.573 1.178 . . . . 0.0 108.686 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.69 -42.17 95.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.654 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.429 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 92.1 mttt -63.96 -40.24 95.97 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.282 -0.886 . . . . 0.0 109.762 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.71 -39.67 80.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.448 -0.782 . . . . 0.0 109.62 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.96 92.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.571 -1.331 . . . . 0.0 109.395 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.29 -16.31 44.3 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 121.281 -0.887 . . . . 0.0 113.303 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.54 86.09 Favored Glycine 0 N--CA 1.477 1.431 0 O-C-N 119.913 -1.742 . . . . 0.0 109.337 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.416 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.49 143.38 32.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.24 -1.741 . . . . 0.0 110.018 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.57 -30.06 59.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.243 -0.91 . . . . 0.0 112.362 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.8 158.52 10.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 119.789 -1.82 . . . . 0.0 112.801 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.59 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.27 35.35 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 102.838 -3.023 . . . . 0.0 102.838 171.306 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.68 136.62 60.28 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 CA-C-O 122.208 1.004 . . . . 0.0 109.29 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.407 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.99 143.14 51.05 Favored 'General case' 0 C--N 1.285 -2.221 0 CA-C-O 123.154 1.454 . . . . 0.0 110.018 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.407 ' N ' HG23 ' D' ' 334' ' ' THR . 85.9 t -108.11 129.89 61.57 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.692 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.34 119.57 26.55 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.845 -1.16 . . . . 0.0 108.961 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.6 122.61 39.26 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.909 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.82 38.9 24.47 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.931 -1.106 . . . . 0.0 112.712 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 10.96 83.64 Favored Glycine 0 N--CA 1.502 3.041 0 O-C-N 119.934 -1.728 . . . . 0.0 112.577 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.31 54.53 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.79 158.53 33.13 Favored 'General case' 0 C--N 1.275 -2.645 0 CA-C-O 123.776 1.75 . . . . 0.0 112.444 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.75 151.38 31.31 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-N 112.396 -2.184 . . . . 0.0 108.572 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.639 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.61 135.99 48.85 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.98 -6.76 47.53 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.674 -1.266 . . . . 0.0 110.763 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.639 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.54 12.93 31.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.717 -1.239 . . . . 0.0 109.295 -177.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.3 t -133.01 104.17 6.41 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.141 0.972 . . . . 0.0 110.179 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.27 -37.94 73.13 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.9 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -58.89 -51.35 70.4 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.539 -1.351 . . . . 0.0 113.094 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.43 70.52 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 119.537 -1.977 . . . . 0.0 109.221 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.75 -33.75 75.8 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.004 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.521 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.62 -10.42 51.98 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.649 -0.657 . . . . 0.0 109.947 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.5 p -89.91 -7.63 53.71 Favored 'General case' 0 N--CA 1.502 2.139 0 C-N-CA 118.086 -1.446 . . . . 0.0 110.901 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.0 mt -93.36 159.26 15.33 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.21 -0.931 . . . . 0.0 110.153 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.65 104.81 2.96 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 106.981 -2.448 . . . . 0.0 106.981 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.5 mt -119.62 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.142 0 O-C-N 120.664 -1.492 . . . . 0.0 107.381 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 5.2 p -81.41 172.61 13.33 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.228 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -60.72 140.92 57.35 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.401 -0.92 . . . . 0.0 109.83 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.2 79.25 Favored Glycine 0 N--CA 1.501 2.987 0 C-N-CA 120.047 -1.073 . . . . 0.0 111.361 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.35 135.85 34.13 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.891 -1.358 . . . . 0.0 110.748 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.6 t -96.45 123.74 48.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.2 m -112.22 160.1 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.298 0 C-N-CA 117.373 -1.731 . . . . 0.0 110.619 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.6 m -108.89 128.37 54.86 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 120.503 -1.373 . . . . 0.0 107.598 175.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.84 121.36 60.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.21 50.7 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.41 47.17 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 118.481 -1.288 . . . . 0.0 109.743 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.83 6.43 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 118.595 -1.242 . . . . 0.0 108.019 178.211 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.32 40.15 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 117.918 -2.086 . . . . 0.0 110.295 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.67 82.84 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 114.363 -0.918 . . . . 0.0 112.161 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.04 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 118.934 -2.353 . . . . 0.0 108.588 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.32 -33.51 65.65 Favored 'General case' 0 N--CA 1.522 3.167 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.426 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.97 -45.63 26.83 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 119.547 -1.971 . . . . 0.0 110.914 -176.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.783 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.74 97.86 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.58 77.36 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 117.55 -1.66 . . . . 0.0 110.085 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.91 -42.12 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 CA-C-O 122.182 0.992 . . . . 0.0 109.262 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.9 -47.95 76.51 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.016 0.912 . . . . 0.0 108.707 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.783 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.29 76.64 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.705 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.542 HD22 ' CE1' ' D' ' 322' ' ' PHE . 79.9 mt -75.65 -28.57 58.81 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.37 -1.456 . . . . 0.0 110.837 -174.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.52 71.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.479 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.15 63.49 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.31 -45.15 84.5 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 118.946 -1.101 . . . . 0.0 110.553 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.41 -37.37 85.56 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.94 -1.1 . . . . 0.0 111.526 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.87 -31.89 61.73 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.136 -0.977 . . . . 0.0 110.216 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.82 -32.32 46.2 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.478 -0.763 . . . . 0.0 111.372 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 125.44 12.14 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 124.293 1.997 . . . . 0.0 112.916 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.896 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 11.3 pt-20 . . . . . 0 C--N 1.277 -2.58 0 CA-C-N 111.167 -2.742 . . . . 0.0 110.138 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.611 ' O2 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.31 141.85 58.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.513 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 6' ' ' GLU . 82.9 tt0 -62.43 -41.45 98.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.469 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 3' ' ' GLU . 62.0 mt -37.82 -31.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.378 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.494 ' OE2' ' SD ' ' C' ' 68' ' ' MET . 98.2 mt-10 -65.37 -44.53 87.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.872 0.368 . . . . 1.94 110.216 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.7 tt0 -67.2 -36.24 81.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.193 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -64.01 -42.24 95.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.27 -44.81 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.932 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.44 -41.75 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.5 -0.555 . . . . 1.04 109.5 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.43 -41.92 97.83 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.8 -42.91 99.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.227 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.32 -44.05 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 1.05 109.721 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.411 ' CD1' ' CE ' ' D' ' 324' ' ' LYS . 88.8 mt -63.51 -44.56 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 1.02 109.984 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -60.97 -46.11 92.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.776 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -60.54 -43.45 97.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.941 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.441 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.42 -43.27 98.49 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.501 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 92.5 mm-40 -62.2 -44.47 96.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.05 81.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.877 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.522 ' NH2' ' OG1' ' A' ' 83' ' ' THR . 42.9 ttm180 -61.23 -46.11 91.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -56.62 -43.18 79.94 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.27 -41.83 98.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.708 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.32 79.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -60.43 -41.01 93.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.572 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.5 95.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.815 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.33 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.714 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.44 -45.39 94.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.508 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.15 -42.68 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.31 -41.22 93.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.772 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.35 95.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.745 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.24 -29.91 70.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.119 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -80.07 -4.16 51.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.46 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.4 13.76 72.76 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.33 79.76 2.57 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.766 0.317 . . . . 0.0 110.3 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -64.96 -33.69 76.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.624 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.42 78.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.086 0.469 . . . . 0.0 110.753 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.38 80.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.91 88.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.86 -40.53 97.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.616 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.6 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.742 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.6 mmm -64.63 -40.41 95.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.47 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 4.2 mmt -62.57 -41.64 99.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.608 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.96 -42.74 99.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 0.0 110.584 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -62.7 -39.8 95.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.213 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 t -61.95 -45.22 94.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.516 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -60.66 -42.25 96.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.349 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.7 mtt -61.96 -43.13 99.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 110.572 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.95 96.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.192 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.19 -40.31 94.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.657 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.9 -42.16 97.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.3 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.37 -40.45 93.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.204 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.32 83.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.469 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -62.65 -37.84 87.97 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.03 -0.532 . . . . 0.13 110.412 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.22 -44.36 97.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.338 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.99 -43.75 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.055 0.455 . . . . 0.0 110.027 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.477 ' NE2' ' CB ' ' A' ' 77' ' ' ALA . 5.6 tp-100 -60.69 -42.81 97.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -55.99 -43.78 77.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 1.03 110.027 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.41 -39.95 89.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 110.563 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.96 -38.13 82.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.702 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.414 HD13 HG23 ' A' ' 59' ' ' ILE . 95.4 mt -67.93 -39.79 82.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.048 -0.523 . . . . 1.01 110.882 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -79.78 -14.82 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.474 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.6 -20.98 27.71 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -94.87 -23.11 17.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.578 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.77 87.91 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.466 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.86 171.33 52.23 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -69.43 117.77 11.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.753 0.311 . . . . 0.0 110.738 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.56 6.21 89.33 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -69.02 133.23 47.84 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.694 0.283 . . . . 0.0 110.495 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.468 ' SD ' ' OE2' ' B' ' 5' ' ' GLU . 98.1 mmm -46.87 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.679 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 17.9 tptp -123.83 -127.82 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.914 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.447 ' H ' ' CG ' ' A' ' 69' ' ' LYS . 34.1 m -92.79 -143.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.649 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.2 p -132.86 167.76 19.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.66 -44.68 81.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.578 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.28 -45.71 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.54 -39.69 91.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.283 -0.417 . . . . 1.03 110.93 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.4 t -59.46 -47.35 91.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.752 -0.658 . . . . 1.12 110.227 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -58.18 -45.6 87.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.759 0.314 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.477 ' CB ' ' NE2' ' A' ' 55' ' ' GLN . . . -63.32 -40.83 98.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.552 -0.294 . . . . 1.01 110.586 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.406 HE21 ' HG2' ' A' ' 55' ' ' GLN . 85.6 mm-40 -62.32 -40.46 96.4 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.238 -0.437 . . . . 1.89 110.209 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.3 tp -57.43 -46.47 83.53 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.375 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.592 ' CE1' ' O3 ' ' D' ' 200' ' ' PO3 . 87.0 m-70 -67.78 -47.47 69.09 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.737 -0.385 . . . . 0.13 110.736 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -60.95 -45.79 93.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.849 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.28 -43.29 99.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.193 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.522 ' OG1' ' NH2' ' A' ' 19' ' ' ARG . 22.5 p -63.74 -46.15 86.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.092 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.444 ' H ' ' HG1' ' A' ' 83' ' ' THR . 66.8 m -62.12 -50.1 73.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.413 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.2 ttp -57.45 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.562 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.01 -43.89 97.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.16 82.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.825 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.8 ttt-85 -58.88 -45.82 89.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.068 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.48 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -60.59 -44.2 96.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.096 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.44 -42.6 95.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.182 0.515 . . . . 0.0 109.863 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.89 -42.36 92.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.326 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.47 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 81.8 m -58.18 -45.91 86.7 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.421 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 98.8 mt-10 -63.2 -43.3 98.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.57 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.557 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 74.7 mt -59.82 -43.02 94.73 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.97 -43.08 95.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.498 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -62.1 -39.07 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.81 -41.76 99.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.9 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.557 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -60.08 -39.18 85.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.048 0.452 . . . . 0.0 109.811 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 103' ' ' ALA . 84.6 tt0 -61.78 -40.33 94.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.178 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' HZ2' ' CD2' ' B' ' 98' ' ' HIS . 98.1 mttt -63.98 -38.32 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.197 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.51 -41.04 96.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.351 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.3 -9.26 39.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.496 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.492 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.42 141.76 58.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.509 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' B' ' 6' ' ' GLU . 82.8 tt0 -62.28 -41.39 98.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' B' ' 3' ' ' GLU . 61.7 mt -37.88 -31.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.508 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.468 ' OE2' ' SD ' ' A' ' 68' ' ' MET . 97.7 mt-10 -65.36 -44.71 86.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.986 0.422 . . . . 1.94 110.345 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.0 tt0 -66.71 -36.15 81.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.162 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.47 -42.12 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.338 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -60.47 -44.54 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.898 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.6 -41.79 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.512 -0.551 . . . . 1.05 109.512 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.16 97.58 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.54 -42.71 99.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.857 0.36 . . . . 0.0 110.409 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.433 HG23 HD12 ' B' ' 12' ' ' ILE . 92.0 mt -63.65 -43.92 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 1.08 109.719 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.401 HD13 HG23 ' B' ' 13' ' ' ILE . 88.0 mt -63.56 -44.64 98.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.946 -0.57 . . . . 1.02 109.997 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -60.81 -45.99 92.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.849 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -60.82 -43.13 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.196 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.86 -42.65 98.35 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -62.79 -44.35 96.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.86 82.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.944 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OG1' ' B' ' 83' ' ' THR . 43.0 ttm180 -61.02 -46.36 91.07 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -56.33 -43.59 79.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.11 -41.89 98.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.719 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.17 -48.63 78.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.48 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 23.4 m-85 -60.19 -40.88 91.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.677 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.72 95.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.743 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.5 90.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.617 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.39 -45.55 93.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.322 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.19 -42.44 73.24 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.74 -40.99 94.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.848 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.35 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.761 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.22 -30.04 70.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.094 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -79.93 -4.33 51.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.453 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.61 13.77 72.13 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.14 79.74 2.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.835 0.35 . . . . 0.0 110.304 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -65.09 -33.61 76.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.708 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.95 76.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.004 0.43 . . . . 0.0 110.755 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.37 80.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.434 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.23 86.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.527 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.61 -40.89 98.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.572 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.51 96.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.702 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 94.7 mmm -64.88 -40.54 95.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.48 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 4.0 mmt -62.51 -41.79 99.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.562 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -62.6 -42.91 99.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.41 -39.95 94.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.279 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -62.04 -45.23 94.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.422 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.55 -42.13 95.94 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.318 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -61.93 -43.49 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.301 0.572 . . . . 0.0 110.681 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.86 97.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.104 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.52 -40.05 92.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.75 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -61.19 -41.82 97.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.379 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.76 -40.2 91.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.084 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.28 82.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.435 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.79 -37.73 87.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.13 110.308 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.34 -44.42 97.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.365 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.92 -44.08 96.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.128 0.489 . . . . 0.0 110.044 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.491 ' NE2' ' CB ' ' B' ' 77' ' ' ALA . 5.6 tp-100 -60.35 -42.74 96.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.257 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.11 -43.69 78.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 1.03 109.966 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.6 -39.72 89.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.958 0.409 . . . . 0.0 110.561 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.18 -37.95 81.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.703 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.402 HD13 HG23 ' B' ' 59' ' ' ILE . 95.2 mt -67.96 -39.86 82.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 1.01 110.839 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -79.92 -14.59 58.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.82 -20.71 27.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -95.19 -23.07 17.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.53 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.69 88.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.399 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.27 170.96 53.14 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -69.04 117.86 11.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.701 0.286 . . . . 0.0 110.655 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.44 6.06 89.51 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -68.94 133.56 48.36 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.627 0.251 . . . . 0.0 110.527 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' MET . . . . . 0.48 ' SD ' ' OE2' ' C' ' 5' ' ' GLU . 98.0 mmm -47.16 -88.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.445 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 18.1 tptp -123.87 -127.69 0.25 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.764 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.445 ' H ' ' CG ' ' B' ' 69' ' ' LYS . 34.2 m -91.06 -144.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.837 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.435 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 52.4 p -132.44 169.28 16.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.537 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.29 -44.28 92.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.499 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.79 -45.01 99.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.435 ' H ' ' HG ' ' B' ' 71' ' ' SER . 87.2 mt -61.92 -39.29 91.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.067 0.46 . . . . 1.03 110.919 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.52 -47.13 91.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.825 -0.625 . . . . 1.12 110.248 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.627 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 58.8 t-80 -58.25 -46.14 86.51 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.893 -0.323 . . . . 2.11 110.302 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.491 ' CB ' ' NE2' ' B' ' 55' ' ' GLN . . . -62.96 -40.9 99.09 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.818 0.342 . . . . 1.01 110.361 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -62.25 -40.45 96.23 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.158 -0.473 . . . . 1.89 110.259 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.9 tp -57.71 -46.17 84.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.376 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.627 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 87.4 m-70 -67.96 -47.06 69.66 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.756 -0.378 . . . . 0.14 110.746 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.32 -45.69 93.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.876 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.31 -43.12 99.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.255 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.529 ' OG1' ' NH2' ' B' ' 19' ' ' ARG . 23.6 p -63.99 -45.88 87.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.185 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.438 ' H ' ' HG1' ' B' ' 83' ' ' THR . 67.0 m -62.19 -50.16 72.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.617 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.3 -48.15 79.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.429 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.01 -43.76 98.16 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.109 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.14 82.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.894 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -58.81 -46.07 88.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.243 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.498 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.1 mt-10 -60.26 -44.43 95.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.056 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.32 -42.42 96.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 110.06 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.97 -42.62 93.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.194 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.48 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 72.6 m -58.04 -45.94 86.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.077 0.465 . . . . 0.0 109.857 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.412 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.3 mt-10 -62.97 -43.42 98.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.506 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.1 mt -59.68 -42.91 93.99 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.3 mt -61.24 -43.09 95.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.55 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.74 -39.65 92.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.731 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.2 -42.23 99.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.864 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -59.65 -39.49 84.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.759 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' B' ' 103' ' ' ALA . 83.6 tt0 -61.66 -40.39 94.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.143 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.419 ' HZ2' ' CD2' ' C' ' 98' ' ' HIS . 98.0 mttt -63.9 -38.56 91.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.173 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.8 mt -64.12 -41.3 97.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.14 -9.0 40.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.397 0 CA-C-O 117.866 -1.064 . . . . 0.0 110.496 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.29 141.75 58.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.653 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' C' ' 6' ' ' GLU . 83.4 tt0 -62.15 -41.63 98.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' C' ' 3' ' ' GLU . 60.9 mt -37.68 -31.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.433 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . 0.48 ' OE2' ' SD ' ' B' ' 68' ' ' MET . 97.5 mt-10 -65.11 -44.8 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.813 0.339 . . . . 1.94 110.353 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.0 tt0 -66.69 -36.21 81.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.28 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 88.5 t -64.14 -42.8 96.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.311 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.81 -44.65 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.049 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.66 -41.8 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.545 -0.539 . . . . 1.05 109.545 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.08 97.96 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.65 -42.73 99.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.884 0.373 . . . . 0.0 110.412 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.49 -43.95 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.973 -0.558 . . . . 1.09 109.715 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.4 -44.74 99.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.013 -0.539 . . . . 1.02 110.041 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -60.73 -46.01 92.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.807 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -60.7 -43.55 97.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.155 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.51 -42.91 98.8 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -62.38 -44.6 96.08 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.51 80.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.798 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OG1' ' C' ' 83' ' ' THR . 42.9 ttm180 -60.72 -46.53 90.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -56.41 -43.33 79.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -62.12 -41.79 98.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.671 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.03 77.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.498 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -59.86 -41.42 91.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.536 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.63 94.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.655 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.12 91.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.551 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.83 -45.11 95.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.418 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.55 -42.4 74.58 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.8 -41.04 94.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.935 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.23 94.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.795 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.55 -29.63 70.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.052 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -80.23 -4.34 52.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.43 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.89 13.45 72.08 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -97.84 79.93 2.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.737 0.303 . . . . 0.0 110.246 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.24 -34.03 77.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.521 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.68 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.075 0.464 . . . . 0.0 110.676 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.3 80.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.404 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.81 88.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.477 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.95 -41.13 99.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.562 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.56 96.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.738 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 94.9 mmm -64.96 -40.58 95.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.495 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 4.1 mmt -62.63 -41.47 99.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.607 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.89 -42.94 99.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.912 0.387 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.44 -39.7 94.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.266 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 38.5 t -62.29 -45.23 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.57 -42.08 95.91 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.417 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 60.3 mtt -61.96 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.335 0.588 . . . . 0.0 110.504 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.74 97.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.311 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.82 -40.23 91.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.675 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.98 -42.02 97.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.347 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.18 -40.86 94.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.029 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.18 83.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.451 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.558 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 85.5 t60 -62.76 -37.67 87.56 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.14 110.285 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.55 -44.36 97.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.373 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.82 -43.69 96.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.082 0.468 . . . . 0.0 110.077 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.49 ' NE2' ' CB ' ' C' ' 77' ' ' ALA . 5.6 tp-100 -60.75 -42.86 98.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.25 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.04 -43.54 77.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 1.03 110.159 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.59 -39.61 88.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.521 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.09 -38.08 81.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.742 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.405 HG23 HD13 ' C' ' 59' ' ' ILE . 95.9 mt -68.03 -39.75 82.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 1.01 110.801 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.524 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.9 mm-40 -80.06 -14.49 58.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.57 -21.1 27.46 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -94.95 -23.27 17.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.774 0.321 . . . . 0.0 110.465 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.51 88.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.452 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.19 171.12 52.91 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -69.24 118.01 11.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 110.583 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.38 6.08 89.52 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -68.87 133.49 48.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.62 0.248 . . . . 0.0 110.616 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' MET . . . . . 0.494 ' SD ' ' OE2' ' A' ' 5' ' ' GLU . 98.0 mmm -47.29 -89.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.609 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.52 ' HZ1' ' CG2' ' D' ' 316' ' ' THR . 17.7 tptp -123.97 -127.9 0.25 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.456 ' H ' ' CG ' ' C' ' 69' ' ' LYS . 34.1 m -90.86 -144.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.75 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.4 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 47.0 p -131.61 171.41 13.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.454 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.31 -45.12 92.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.661 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.57 -45.27 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 130.134 3.374 . . . . 0.0 110.568 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' C' ' 71' ' ' SER . 91.2 mt -63.76 -39.66 94.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.08 0.467 . . . . 1.03 110.957 177.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.22 -47.92 88.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.752 -0.658 . . . . 1.13 110.274 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.627 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 58.8 t-80 -58.17 -45.95 86.57 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.88 -0.328 . . . . 1.96 110.324 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.49 ' CB ' ' NE2' ' C' ' 55' ' ' GLN . . . -63.14 -40.67 98.25 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.908 0.385 . . . . 1.01 110.439 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.405 HE21 ' HG2' ' C' ' 55' ' ' GLN . 86.2 mm-40 -62.42 -40.58 96.99 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.244 -0.434 . . . . 1.89 110.237 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 37.8 tp -57.54 -46.24 84.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.501 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.627 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 87.3 m-70 -68.07 -46.86 69.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.301 -0.409 . . . . 0.13 110.762 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.4 -45.81 92.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.814 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.34 -42.93 99.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.424 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.529 ' OG1' ' NH2' ' C' ' 19' ' ' ARG . 24.3 p -64.07 -45.96 86.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.28 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.466 ' H ' ' HG1' ' C' ' 83' ' ' THR . 67.0 m -62.13 -50.11 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.598 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.22 -48.18 79.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.491 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.86 -43.97 97.77 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.148 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.51 80.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.941 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -58.43 -46.33 86.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.234 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.95 -44.41 94.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.908 0.385 . . . . 0.0 110.194 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.43 -42.49 95.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.152 0.501 . . . . 0.0 110.003 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.0 mt -60.84 -42.71 93.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.367 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.495 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 76.0 m -57.82 -45.8 85.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.138 0.494 . . . . 0.0 110.028 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.33 -43.52 97.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.486 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 76.5 mt -59.24 -43.13 92.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.15 -43.0 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.547 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -61.72 -39.67 92.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.701 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.15 -42.02 98.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.944 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.0 m80 -60.01 -39.32 85.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.734 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' C' ' 103' ' ' ALA . 84.0 tt0 -61.62 -40.37 94.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.103 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.83 -38.56 91.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.197 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.37 -41.11 96.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.312 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.25 -9.28 39.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.408 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.531 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.215 -0.726 0 CA-C-O 121.907 0.861 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.77 143.06 36.75 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.26 38.49 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.866 -1.146 . . . . 0.0 109.564 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.11 149.22 28.57 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 152.28 19.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.993 -1.067 . . . . 0.0 108.376 178.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.87 144.28 19.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.4 m -96.62 136.59 36.93 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 122.165 0.983 . . . . 0.0 110.133 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.32 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.87 -4.33 19.32 Favored 'General case' 0 C--N 1.265 -3.078 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.902 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.56 141.79 85.64 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 119.637 -1.914 . . . . 0.0 110.577 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.45 -47.68 12.78 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 124.769 3.646 . . . . 0.0 114.153 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.558 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 98.7 m-20 -102.14 27.59 6.52 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 116.059 -2.256 . . . . 0.0 108.806 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.69 -125.84 26.31 Favored Glycine 0 N--CA 1.496 2.676 0 C-N-CA 117.653 -2.213 . . . . 0.0 109.604 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.8 tp -128.21 75.85 1.65 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.938 -1.33 . . . . 0.0 109.458 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -80.79 174.53 11.53 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 117.909 -1.517 . . . . 0.0 112.129 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.55 ' OG1' ' O3 ' ' D' ' 200' ' ' PO3 . 58.6 p -24.78 -67.67 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -177.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.501 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 8.4 ttt-85 -45.54 -65.41 0.66 Allowed Pre-proline 0 N--CA 1.493 1.712 0 C-N-CA 120.108 -0.637 . . . . 0.0 112.488 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.6 -32.21 58.72 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 C-N-CA 121.869 1.713 . . . . 0.0 111.465 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.87 86.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.239 -0.913 . . . . 0.0 109.486 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.97 -39.67 72.4 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -64.0 -39.37 93.97 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 117.946 -1.501 . . . . 0.0 109.507 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.59 -45.35 93.31 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.656 1.217 . . . . 0.0 108.756 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.67 -42.18 95.09 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.689 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.411 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 63.4 mttm -63.91 -40.29 96.14 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.21 -0.931 . . . . 0.0 109.783 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.73 -39.73 80.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.424 -0.798 . . . . 0.0 109.57 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.02 91.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.58 -1.325 . . . . 0.0 109.46 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.35 -16.11 42.89 Favored 'General case' 0 N--CA 1.512 2.64 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.0 -10.54 86.2 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 119.954 -1.716 . . . . 0.0 109.268 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.31 32.89 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.26 -1.729 . . . . 0.0 109.998 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.55 -30.13 59.62 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.285 -0.884 . . . . 0.0 112.366 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.71 158.57 10.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 119.841 -1.787 . . . . 0.0 112.8 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.97 130.29 35.4 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 102.814 -3.032 . . . . 0.0 102.814 171.243 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.75 136.61 60.3 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-O 122.208 1.004 . . . . 0.0 109.336 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.409 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.9 143.2 50.98 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 123.08 1.419 . . . . 0.0 110.02 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.409 ' N ' HG23 ' D' ' 334' ' ' THR . 85.6 t -108.12 129.99 61.41 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.703 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 173.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.9 m -127.52 119.63 26.45 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.835 -1.166 . . . . 0.0 108.871 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.61 122.63 39.29 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.578 -0.701 . . . . 0.0 109.891 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.74 38.9 24.21 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.945 -1.097 . . . . 0.0 112.747 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 10.91 83.6 Favored Glycine 0 N--CA 1.5 2.952 0 O-C-N 119.956 -1.715 . . . . 0.0 112.556 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.77 136.3 54.51 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.78 158.58 32.98 Favored 'General case' 0 C--N 1.276 -2.623 0 CA-C-O 123.762 1.744 . . . . 0.0 112.494 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.74 151.44 31.41 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 112.508 -2.133 . . . . 0.0 108.575 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.636 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.62 135.9 48.76 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 173.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.94 -6.78 47.55 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.715 -1.24 . . . . 0.0 110.734 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.636 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.53 13.07 31.24 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.694 -1.254 . . . . 0.0 109.425 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 94.8 p -133.11 104.09 6.34 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.183 0.992 . . . . 0.0 110.144 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.8 tp -57.19 -37.89 72.85 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.007 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -58.91 -51.35 70.42 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.6 -1.313 . . . . 0.0 113.068 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.35 70.33 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 119.616 -1.928 . . . . 0.0 109.224 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.75 75.84 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.945 -1.102 . . . . 0.0 109.924 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.524 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.68 -10.41 52.1 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.616 -0.677 . . . . 0.0 109.928 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.4 p -89.83 -7.67 53.8 Favored 'General case' 0 N--CA 1.503 2.215 0 C-N-CA 118.084 -1.446 . . . . 0.0 110.922 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.41 159.23 15.34 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.166 -0.958 . . . . 0.0 110.134 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.65 104.85 2.96 Favored Glycine 0 N--CA 1.485 1.928 0 N-CA-C 106.956 -2.457 . . . . 0.0 106.956 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.9 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.308 -1.212 0 O-C-N 120.724 -1.456 . . . . 0.0 107.398 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.2 p -81.41 172.54 13.42 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.284 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.72 140.92 57.35 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.321 -0.952 . . . . 0.0 109.862 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.16 78.99 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 120.015 -1.088 . . . . 0.0 111.35 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.39 135.91 34.08 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.873 -1.369 . . . . 0.0 110.658 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.53 123.7 48.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.23 160.08 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 C-N-CA 117.408 -1.717 . . . . 0.0 110.604 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.1 m -108.86 128.4 54.88 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.504 -1.373 . . . . 0.0 107.611 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.93 121.4 60.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.62 147.23 50.71 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -179.543 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.36 47.23 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 118.535 -1.266 . . . . 0.0 109.803 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.8 6.43 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 118.517 -1.273 . . . . 0.0 108.008 178.18 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.32 40.15 Favored Glycine 0 C--N 1.296 -1.671 0 C-N-CA 118.035 -2.031 . . . . 0.0 110.379 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.57 82.6 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.385 -0.908 . . . . 0.0 112.195 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 115.822 -2.351 . . . . 0.0 108.556 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.43 -33.51 65.91 Favored 'General case' 0 N--CA 1.521 3.085 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.416 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.84 -45.66 27.62 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 119.537 -1.977 . . . . 0.0 110.98 -176.563 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.784 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.56 -40.66 97.56 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 178.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.54 77.46 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 117.528 -1.669 . . . . 0.0 110.067 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.2 t -66.77 -42.3 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 CA-C-O 122.221 1.01 . . . . 0.0 109.264 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.82 -47.94 76.3 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.079 0.942 . . . . 0.0 108.78 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.784 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.8 -38.28 76.59 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.731 -178.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.68 -28.54 58.72 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.373 -1.454 . . . . 0.0 110.9 -174.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.26 62.9 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.23 -45.28 84.03 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.076 -1.05 . . . . 0.0 110.501 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.28 -37.43 85.48 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.844 -1.16 . . . . 0.0 111.568 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.82 61.61 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.124 -0.985 . . . . 0.0 110.273 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.83 -32.31 46.14 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.475 -0.765 . . . . 0.0 111.323 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.11 125.5 12.38 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 124.383 2.039 . . . . 0.0 112.872 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.902 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.3 mm-40 . . . . . 0 C--N 1.278 -2.513 0 CA-C-N 111.061 -2.79 . . . . 0.0 110.127 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.592 ' O3 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.513 ' OE2' ' CD1' ' A' ' 4' ' ' LEU . 81.3 tt0 -72.35 155.32 40.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.524 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 6' ' ' GLU . 81.4 tt0 -60.07 -44.49 94.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.492 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.513 ' CD1' ' OE2' ' A' ' 2' ' ' GLU . 90.3 mt -37.11 -32.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' GLU . 79.5 mm-40 -64.77 -44.87 88.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.958 0.409 . . . . 1.94 110.306 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.1 mt-10 -67.19 -34.99 78.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.262 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.09 -42.15 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.375 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.05 -44.22 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.974 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.42 -41.25 84.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.491 -0.559 . . . . 1.04 109.491 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -40.99 98.57 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.3 mt -63.35 -42.93 98.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.22 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.13 -44.48 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 1.05 109.683 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 90.3 mt -63.6 -44.32 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.047 -0.524 . . . . 1.02 109.972 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.46 -46.32 89.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.842 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -60.73 -44.93 96.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.957 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.52 -43.02 99.62 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.542 ' NE2' HH21 ' D' ' 317' ' ' ARG . 91.1 mm-40 -63.49 -43.77 96.3 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.32 78.3 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.829 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.45 -47.18 87.22 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.1 p -55.6 -44.1 76.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.486 ' N ' ' HG ' ' A' ' 20' ' ' SER . 69.6 mt -62.13 -41.77 98.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.698 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.39 -49.95 74.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.403 0.621 . . . . 0.0 109.341 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.05 -40.74 90.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.557 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.33 94.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.46 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.676 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.72 -45.02 95.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.439 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.86 -42.42 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.67 -41.55 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.807 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.12 96.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.681 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.0 -28.76 69.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.186 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -80.29 -4.16 52.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.46 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.23 14.54 68.71 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.44 78.96 2.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.303 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -64.74 -34.55 78.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.67 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.41 74.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.491 . . . . 0.0 110.786 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.13 80.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.98 81.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.54 -42.19 98.46 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.62 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.56 99.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.789 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.3 mmm -65.77 -40.17 91.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.494 ' O ' ' OG ' ' A' ' 44' ' ' SER . 91.0 mtp -63.43 -41.31 98.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.59 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.69 -44.56 96.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.981 0.42 . . . . 0.0 110.611 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.05 -41.66 99.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.222 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.703 ' HG ' ' HE ' ' A' ' 88' ' ' ARG . 77.9 p -60.92 -46.2 91.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.56 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' NH2' HH12 ' A' ' 88' ' ' ARG . 62.9 ttm-85 -60.14 -42.9 95.83 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.345 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 62.0 mtt -61.68 -43.01 99.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.269 0.557 . . . . 0.0 110.605 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.83 92.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.2 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.32 -40.45 93.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.665 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.92 -42.08 97.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.245 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.05 -40.76 91.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.18 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.79 78.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.484 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -60.95 -38.85 87.3 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.13 110.322 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -59.98 -44.61 94.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.67 -42.77 93.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.069 0.461 . . . . 0.0 109.994 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -59.95 -45.22 93.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.251 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -54.88 -43.97 73.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.03 110.018 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -60.32 -39.63 87.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.497 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.82 -38.76 89.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.603 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.7 mt -72.53 -36.86 55.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.097 -0.501 . . . . 1.01 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -80.52 -10.69 59.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.34 178.79 26.49 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 54.8 p-10 -65.21 141.4 58.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.604 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.59 143.77 54.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.71 170.51 35.93 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.4 118.84 8.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.887 0.375 . . . . 0.0 110.687 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.89 3.22 89.23 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -99.93 138.9 36.37 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.707 0.289 . . . . 0.0 110.436 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.8 mtt -94.9 -93.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -108.77 -29.11 8.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -109.05 131.59 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.664 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.528 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 5.1 p -122.31 155.18 36.49 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.64 -45.29 85.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.603 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.06 -47.66 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.906 0.384 . . . . 0.0 110.588 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.528 ' H ' ' HG ' ' A' ' 71' ' ' SER . 96.1 mt -63.51 -41.3 98.52 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.974 0.416 . . . . 1.03 110.874 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.81 -48.18 88.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.761 -0.654 . . . . 1.12 110.19 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.671 ' HD1' ' CG2' ' C' ' 70' ' ' VAL . 1.4 t60 -59.26 -45.82 90.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.835 0.35 . . . . 0.0 110.354 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.63 95.99 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.524 -0.307 . . . . 1.01 110.639 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -62.64 -40.58 97.47 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.202 -0.454 . . . . 1.89 110.191 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.6 tp -56.82 -45.93 82.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.434 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.614 ' CE1' ' O3 ' ' D' ' 200' ' ' PO3 . 70.0 m-70 -67.03 -46.25 75.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.34 -0.391 . . . . 0.13 110.776 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.9 -45.83 92.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.766 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.16 -43.55 98.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.15 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.8 p -63.46 -46.67 85.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.058 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.7 t -62.39 -48.81 78.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.445 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.57 -48.82 78.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.54 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.17 -44.47 97.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.058 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.24 80.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.853 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.703 ' HE ' ' HG ' ' A' ' 44' ' ' SER . 76.5 ttt-85 -59.09 -45.61 90.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.173 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.47 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.8 mt-10 -60.4 -43.97 96.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.086 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.94 -42.21 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.17 0.509 . . . . 0.0 109.931 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.14 -42.64 90.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.8 m -56.94 -45.83 82.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.455 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 98.5 mt-10 -63.36 -43.25 98.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.578 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.541 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.6 mt -59.93 -43.16 95.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.404 HG22 HD13 ' A' ' 95' ' ' ILE . 88.2 mt -61.59 -42.76 95.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.51 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -61.45 -39.79 92.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.087 0.47 . . . . 0.0 109.769 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.26 -42.17 99.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.879 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.541 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.4 m80 -59.7 -39.58 85.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.25 -39.36 92.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.152 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.93 -37.96 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.185 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 103' ' ' ALA . 41.6 mt -63.68 -40.68 97.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.463 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 58.81 -72.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.522 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.591 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.524 ' OE2' ' CD1' ' B' ' 4' ' ' LEU . 80.4 tt0 -72.27 155.25 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' B' ' 6' ' ' GLU . 80.5 tt0 -60.0 -44.32 94.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.435 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD1' ' OE2' ' B' ' 2' ' ' GLU . 90.4 mt -37.21 -32.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.474 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 3' ' ' GLU . 79.6 mm-40 -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 1.94 110.362 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.0 mt-10 -66.8 -35.38 79.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.218 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.76 -42.4 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.358 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -60.87 -44.28 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.881 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.42 -41.32 84.75 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.588 -0.523 . . . . 1.05 109.588 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -41.16 98.68 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.7 mt -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.406 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.15 -44.24 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 1.08 109.688 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.419 HG22 HD13 ' B' ' 13' ' ' ILE . 89.9 mt -63.81 -44.51 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.902 -0.59 . . . . 1.02 109.97 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.25 -46.45 88.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.79 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -60.55 -44.92 95.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.09 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.67 -43.11 99.46 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.121 -1.191 . . . . 0.0 110.121 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.517 ' O ' ' OG ' ' B' ' 20' ' ' SER . 91.5 mm-40 -63.14 -44.11 96.46 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.68 -49.64 76.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.885 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.29 -46.92 88.15 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.517 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.6 p -55.78 -43.89 77.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.492 ' N ' ' HG ' ' B' ' 20' ' ' SER . 69.0 mt -62.26 -42.01 98.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.733 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.34 -50.06 74.16 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.47 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.3 m-85 -59.79 -40.73 89.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.725 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.69 95.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.73 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.63 89.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.68 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.7 -44.96 95.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.346 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -55.88 -42.44 75.94 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.65 -41.66 99.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.918 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.41 95.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.649 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.71 -29.01 69.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.013 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.25 -4.1 51.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.356 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.24 14.16 69.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.09 78.93 2.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.773 0.32 . . . . 0.0 110.337 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.76 -34.6 78.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.613 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -49.34 75.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.008 0.433 . . . . 0.0 110.756 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.3 80.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.17 -47.91 82.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.73 -42.5 99.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.586 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.28 99.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.729 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 91.4 mmm -66.21 -40.01 90.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.481 ' O ' ' OG ' ' B' ' 44' ' ' SER . 91.0 mtp -63.24 -41.46 99.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.559 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.96 -44.3 97.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.499 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.32 -40.95 98.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.316 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.701 ' HG ' ' HE ' ' B' ' 88' ' ' ARG . 78.6 p -61.49 -46.21 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.461 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.538 ' NH2' HH12 ' B' ' 88' ' ' ARG . 62.7 ttm-85 -60.39 -42.66 96.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.257 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 62.2 mtt -61.63 -43.28 99.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.309 0.576 . . . . 0.0 110.655 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.62 92.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.21 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.49 -40.05 92.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.749 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.15 -42.27 98.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.37 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.73 -40.88 92.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.194 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.86 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.477 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -60.86 -38.72 86.54 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.13 110.275 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.25 -44.58 95.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.3 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.49 -43.04 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.038 0.446 . . . . 0.0 110.016 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -59.65 -45.84 90.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.277 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -54.27 -44.19 71.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 1.03 109.96 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.56 -39.79 89.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.552 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.3 mt -65.25 -38.8 91.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.685 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 77.3 mt -72.43 -37.3 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 1.01 110.787 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -80.42 -10.17 59.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.41 178.51 27.34 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.483 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 55.6 p-10 -65.09 141.24 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.545 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.13 144.16 55.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.09 170.72 36.97 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.54 119.01 8.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.337 . . . . 0.0 110.616 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.06 2.87 89.28 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -99.5 139.09 35.66 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.642 0.258 . . . . 0.0 110.551 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mtt -95.01 -93.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.695 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -108.26 -29.13 9.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.859 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 63.7 t -109.7 131.02 61.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.528 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 10.0 p -121.57 157.39 30.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.601 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.29 -45.12 94.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.554 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.98 -47.07 94.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.561 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.528 ' H ' ' HG ' ' B' ' 71' ' ' SER . 96.9 mt -64.02 -40.85 97.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.062 0.458 . . . . 1.03 110.963 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.96 -47.8 90.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.77 -0.65 . . . . 1.12 110.275 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.676 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.3 t-80 -59.28 -46.24 89.07 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.9 -0.32 . . . . 2.11 110.265 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.47 96.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.841 0.353 . . . . 1.01 110.42 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.93 -40.68 98.35 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.147 -0.478 . . . . 1.89 110.29 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 48.2 tp -56.83 -45.94 82.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.676 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 71.6 m-70 -67.05 -46.34 74.65 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.689 -0.404 . . . . 0.14 110.726 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.68 -46.08 91.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.863 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.89 -43.47 98.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.293 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.7 p -63.6 -46.49 85.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.187 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 40.9 t -62.34 -48.64 78.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.637 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.71 -48.49 79.43 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.462 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.52 -44.28 97.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.146 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.25 80.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.927 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.701 ' HE ' ' HG ' ' B' ' 44' ' ' SER . 76.3 ttt-85 -58.99 -45.53 90.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.276 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.483 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 98.0 mt-10 -60.54 -43.98 96.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.19 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.84 -41.92 97.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.152 0.501 . . . . 0.0 110.086 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.56 -42.48 91.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.247 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 69.7 m -56.94 -46.12 82.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.08 0.467 . . . . 0.0 109.916 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.439 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.3 mt-10 -62.98 -43.55 98.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.442 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.3 mt -59.73 -43.47 94.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.42 HD13 HG22 ' B' ' 95' ' ' ILE . 87.0 mt -61.28 -42.97 95.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.545 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.16 -40.04 92.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.17 -41.81 98.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.867 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.7 m80 -59.91 -39.79 86.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.811 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.74 -39.68 92.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.133 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.05 -37.63 88.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.188 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' B' ' 103' ' ' ALA . 41.3 mt -63.9 -40.51 96.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.414 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 58.61 -72.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.529 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' B' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.578 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.523 ' OE2' ' CD1' ' C' ' 4' ' ' LEU . 81.3 tt0 -72.25 154.8 40.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' C' ' 6' ' ' GLU . 81.7 tt0 -59.59 -44.25 93.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.358 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.523 ' CD1' ' OE2' ' C' ' 2' ' ' GLU . 89.5 mt -37.41 -32.19 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.392 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' C' ' 3' ' ' GLU . 79.6 mm-40 -64.84 -44.92 88.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.829 0.347 . . . . 1.94 110.349 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.5 mt-10 -66.97 -35.25 79.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.336 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.7 -42.43 95.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.07 -44.05 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.994 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mtp -58.47 -41.51 85.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.603 -0.517 . . . . 1.05 109.603 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.52 98.97 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.76 -43.45 98.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.905 0.383 . . . . 0.0 110.43 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.71 -44.38 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 1.09 109.711 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.424 HD13 HG22 ' C' ' 13' ' ' ILE . 89.9 mt -63.71 -44.19 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.016 -0.538 . . . . 1.02 110.045 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.48 -46.49 88.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.838 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -60.66 -44.82 96.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.153 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.57 -43.28 99.24 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.039 -1.225 . . . . 0.0 110.039 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . 0.504 ' O ' ' OG ' ' C' ' 20' ' ' SER . 91.2 mm-40 -63.23 -44.13 96.11 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -50.08 74.99 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.24 -46.85 88.35 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.5 p -56.08 -43.63 78.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.464 ' N ' ' HG ' ' C' ' 20' ' ' SER . 67.9 mt -62.41 -41.66 98.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.65 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.59 -50.02 74.48 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.483 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.3 m-85 -59.9 -41.09 90.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.538 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.67 94.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.778 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.1 89.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.594 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.33 -45.11 95.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.79 -42.38 75.49 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.92 -41.3 99.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.89 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.21 95.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.756 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.32 -28.64 69.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.049 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -80.25 -4.09 51.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.448 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.22 14.15 69.62 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.01 78.7 2.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.741 0.305 . . . . 0.0 110.221 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.5 -34.99 79.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.538 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -49.18 76.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.041 0.448 . . . . 0.0 110.748 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.97 79.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.6 82.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.496 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.08 -42.17 98.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.571 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.91 99.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.747 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 91.7 mmm -65.53 -40.79 93.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.505 ' O ' ' OG ' ' C' ' 44' ' ' SER . 91.1 mtp -62.61 -41.75 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.662 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.73 -44.5 96.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.454 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.98 -41.24 99.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' SER . . . . . 0.671 ' HG ' ' HE ' ' C' ' 88' ' ' ARG . 78.7 p -61.17 -46.45 90.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.51 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.52 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.7 ttm-85 -60.29 -42.4 95.41 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.324 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.91 -43.05 99.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.354 0.597 . . . . 0.0 110.516 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.09 92.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.354 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.16 -40.52 94.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.1 -42.0 97.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.381 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.12 -40.46 90.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.09 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.63 -46.22 76.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.432 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.586 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 63.3 t-80 -60.72 -38.53 85.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 0.14 110.311 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.1 mt -60.19 -44.52 95.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.47 -42.91 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.027 0.441 . . . . 0.0 109.97 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -60.23 -45.2 94.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.26 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.1 m -54.68 -43.92 72.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 1.03 110.118 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -60.73 -39.61 89.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.517 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.47 -38.86 91.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.3 mt -72.17 -37.29 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 1.01 110.822 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.532 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -80.58 -10.29 59.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.41 178.59 27.17 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 55.6 p-10 -65.2 141.91 58.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.869 0.366 . . . . 0.0 110.463 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.89 144.13 54.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.05 170.5 37.24 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.33 118.84 8.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.588 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.02 3.03 89.36 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -99.34 139.43 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.576 0.227 . . . . 0.0 110.578 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 65.8 mtt -95.55 -93.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.534 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -108.7 -29.14 8.85 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.671 ' CG2' ' HD1' ' A' ' 76' ' ' HIS . 61.8 t -109.42 130.67 62.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.688 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.494 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 9.5 p -120.25 159.51 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.532 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.76 -44.1 97.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.663 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.63 -47.54 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 130.182 3.393 . . . . 0.0 110.612 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.494 ' H ' ' HG ' ' C' ' 71' ' ' SER . 95.4 mt -65.9 -40.64 91.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.2 -0.454 . . . . 1.03 110.997 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.32 -48.02 89.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.73 -0.668 . . . . 1.13 110.22 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.656 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.3 t-80 -59.41 -46.39 88.83 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.938 -0.305 . . . . 1.96 110.275 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.51 96.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.93 0.395 . . . . 1.01 110.434 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.59 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 58.1 tt0 -62.77 -41.11 99.08 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.89 110.265 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 47.6 tp -56.33 -46.19 80.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.529 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.656 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 71.8 m-70 -66.97 -46.38 74.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.304 -0.407 . . . . 0.13 110.802 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.53 -46.42 90.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.836 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.51 -43.38 98.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.395 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.0 p -63.74 -46.4 85.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.172 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.6 t -62.56 -48.35 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.94 -48.68 79.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 110.515 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.25 -44.35 97.4 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.173 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.06 -48.21 80.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.009 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.671 ' HE ' ' HG ' ' C' ' 44' ' ' SER . 76.4 ttt-85 -59.2 -45.36 91.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.253 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.4 -44.22 95.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.936 0.398 . . . . 0.0 110.141 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.77 -42.15 97.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.123 0.487 . . . . 0.0 109.976 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.3 -42.52 90.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 68.8 m -57.03 -45.84 82.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.097 0.475 . . . . 0.0 109.993 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.34 -43.14 98.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.534 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.55 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.1 mt -59.91 -43.2 95.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.431 HD13 HG22 ' C' ' 95' ' ' ILE . 87.6 mt -61.6 -43.04 96.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.528 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.95 -40.11 92.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.98 -42.31 98.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.899 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.55 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.6 m80 -59.48 -40.16 86.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.704 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.68 -39.33 91.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.142 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.98 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.221 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' C' ' 103' ' ' ALA . 42.0 mt -63.6 -40.58 97.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 58.83 -72.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.455 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . 0.591 ' N ' ' O ' ' C' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.223 -0.329 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.536 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.516 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.929 0.871 . . . . 0.0 108.893 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.84 143.09 36.62 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.35 38.59 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.946 -1.096 . . . . 0.0 109.581 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.17 149.16 28.46 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.29 18.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.051 -1.031 . . . . 0.0 108.408 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.82 144.37 19.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.55 37.09 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 122.143 0.973 . . . . 0.0 110.119 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.38 25.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.9 -4.3 19.31 Favored 'General case' 0 C--N 1.266 -3.044 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.901 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.78 85.68 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 119.774 -1.829 . . . . 0.0 110.597 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.44 -47.74 12.66 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 124.71 3.607 . . . . 0.0 114.142 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.586 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 96.4 m-20 -102.1 27.56 6.53 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 116.076 -2.25 . . . . 0.0 108.81 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.36 -124.16 24.42 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 117.699 -2.191 . . . . 0.0 109.58 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.0 tp -129.71 81.24 2.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.939 -1.33 . . . . 0.0 109.568 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -85.95 176.61 7.96 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 117.933 -1.507 . . . . 0.0 112.09 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.523 ' OG1' ' O3 ' ' D' ' 200' ' ' PO3 . 67.0 p -25.68 -62.78 0.07 Allowed 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -176.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.542 HH21 ' NE2' ' A' ' 17' ' ' GLN . 18.0 ttt180 -51.4 -65.0 1.07 Allowed Pre-proline 0 N--CA 1.494 1.748 0 C-N-CA 120.096 -0.642 . . . . 0.0 112.514 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.61 -32.19 58.66 Favored 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 121.9 1.733 . . . . 0.0 111.495 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.84 86.75 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.16 -0.963 . . . . 0.0 109.524 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.92 -39.74 72.51 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.91 -39.48 94.26 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 118.003 -1.479 . . . . 0.0 109.459 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.545 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.68 -45.33 93.28 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 122.609 1.195 . . . . 0.0 108.66 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . 0.61 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.9 t -62.61 -42.27 95.31 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.733 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.421 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 96.5 mttt -63.79 -40.35 96.44 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.794 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.462 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.58 79.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.446 -0.784 . . . . 0.0 109.586 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.0 91.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.582 -1.324 . . . . 0.0 109.427 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . 0.61 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.9 mttp -61.33 -16.25 44.02 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.293 -0.879 . . . . 0.0 113.31 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.62 86.06 Favored Glycine 0 N--CA 1.48 1.58 0 O-C-N 119.873 -1.767 . . . . 0.0 109.301 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.415 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.34 32.82 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.321 -1.694 . . . . 0.0 110.077 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.55 -30.12 59.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.243 -0.91 . . . . 0.0 112.361 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.65 158.57 9.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 119.819 -1.8 . . . . 0.0 112.857 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.37 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 102.861 -3.014 . . . . 0.0 102.861 171.194 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.62 60.27 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 CA-C-O 122.194 0.997 . . . . 0.0 109.316 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.405 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.4 m -124.94 143.12 51.04 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-O 123.125 1.44 . . . . 0.0 109.968 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.405 ' N ' HG23 ' D' ' 334' ' ' THR . 85.4 t -108.11 129.95 61.47 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.697 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 173.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.41 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.6 m -127.45 119.62 26.53 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.914 -1.116 . . . . 0.0 108.939 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.65 39.38 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.542 -0.723 . . . . 0.0 109.846 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.73 38.93 24.23 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.917 -1.114 . . . . 0.0 112.779 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 10.96 83.59 Favored Glycine 0 N--CA 1.501 2.979 0 O-C-N 119.982 -1.699 . . . . 0.0 112.63 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.85 136.18 54.58 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.74 158.51 33.09 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.743 1.735 . . . . 0.0 112.44 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.42 31.44 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 112.484 -2.143 . . . . 0.0 108.572 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.645 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.2 t -70.58 135.94 48.87 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 173.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.0 -6.71 47.25 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.681 -1.262 . . . . 0.0 110.766 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.645 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.55 13.04 31.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.698 -1.251 . . . . 0.0 109.396 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 97.5 p -133.16 104.17 6.37 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.25 1.024 . . . . 0.0 110.148 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.31 -37.78 73.01 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.943 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -58.88 -51.42 70.1 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.561 -1.337 . . . . 0.0 113.099 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.0 -32.41 70.58 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 119.561 -1.962 . . . . 0.0 109.272 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.79 -33.77 75.88 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 118.995 -1.082 . . . . 0.0 109.916 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.532 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.71 -10.36 51.79 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.607 -0.683 . . . . 0.0 109.942 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 37.6 p -89.79 -7.81 53.56 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 118.174 -1.41 . . . . 0.0 110.854 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.34 159.26 15.34 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.185 -0.947 . . . . 0.0 110.202 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.63 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 106.939 -2.464 . . . . 0.0 106.939 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 87.5 mt -119.55 47.39 1.72 Allowed 'General case' 0 C--N 1.309 -1.165 0 O-C-N 120.69 -1.477 . . . . 0.0 107.426 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 4.6 p -81.45 172.57 13.36 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 118.843 -1.143 . . . . 0.0 109.22 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -60.74 140.97 57.37 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.835 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.19 79.11 Favored Glycine 0 N--CA 1.5 2.966 0 C-N-CA 120.069 -1.063 . . . . 0.0 111.38 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.45 136.0 34.02 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.959 -1.318 . . . . 0.0 110.629 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.8 t -96.59 123.68 48.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.15 160.08 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.271 0 C-N-CA 117.451 -1.7 . . . . 0.0 110.647 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.41 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.93 128.35 54.85 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 120.562 -1.336 . . . . 0.0 107.567 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.83 121.45 60.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.23 50.71 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.54 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.41 47.11 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 118.506 -1.278 . . . . 0.0 109.778 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.82 6.43 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 118.524 -1.27 . . . . 0.0 108.049 178.233 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.28 40.09 Favored Glycine 0 C--N 1.296 -1.654 0 C-N-CA 117.994 -2.051 . . . . 0.0 110.355 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.39 -40.62 82.86 Favored 'General case' 0 C--N 1.275 -2.634 0 CA-C-N 114.388 -0.906 . . . . 0.0 112.195 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.08 36.77 3.56 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 115.883 -2.327 . . . . 0.0 108.591 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.48 65.75 Favored 'General case' 0 N--CA 1.521 3.1 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -174.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.448 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.93 -45.66 27.03 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 119.481 -2.012 . . . . 0.0 110.953 -176.56 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.786 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.71 97.75 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.42 77.93 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 117.422 -1.711 . . . . 0.0 110.043 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.3 t -66.87 -42.22 88.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-O 122.204 1.002 . . . . 0.0 109.263 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.82 -47.94 76.3 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-O 122.109 0.956 . . . . 0.0 108.775 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.786 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.36 76.73 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.754 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.545 HD22 ' CE1' ' D' ' 322' ' ' PHE . 81.0 mt -75.54 -28.65 59.15 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.283 -1.51 . . . . 0.0 110.897 -174.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.49 70.99 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.413 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.16 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.462 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.15 84.53 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 119.009 -1.076 . . . . 0.0 110.546 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.37 -37.44 85.71 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.94 -1.1 . . . . 0.0 111.534 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.73 61.65 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.093 -1.004 . . . . 0.0 110.298 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.97 -32.28 45.27 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.454 -0.779 . . . . 0.0 111.282 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 125.52 12.32 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 124.367 2.032 . . . . 0.0 112.842 178.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.901 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.4 tt0 . . . . . 0 C--N 1.277 -2.562 0 CA-C-N 111.14 -2.754 . . . . 0.0 110.089 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.614 ' O3 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -61.32 -38.1 85.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.51 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 6' ' ' GLU . 49.8 tp10 -58.57 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.51 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 3' ' ' GLU . 57.2 mt -38.38 -37.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.486 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -63.38 -48.79 76.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.905 0.383 . . . . 1.94 110.256 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.7 tt0 -68.0 -36.39 79.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.281 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.73 -43.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.363 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.77 -44.84 98.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.993 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.22 -41.29 88.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.531 -0.544 . . . . 1.04 109.531 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.1 -42.48 96.56 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.4 mt -63.38 -42.89 98.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.156 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.422 HG12 ' HD1' ' A' ' 80' ' ' HIS . 96.2 mt -63.12 -44.4 99.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.537 . . . . 1.05 109.71 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.82 -44.17 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.039 -0.528 . . . . 1.02 109.916 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 14' ' ' ASN . 47.2 t-20 -60.34 -45.98 91.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.859 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p -61.15 -42.97 99.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.95 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.565 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.48 -43.65 97.85 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -61.94 -42.96 99.7 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.4 -49.12 78.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.891 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.88 -46.05 92.16 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -55.81 -44.25 77.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.97 -42.0 98.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.693 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.57 -48.16 80.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.397 0.618 . . . . 0.0 109.336 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -60.21 -41.76 93.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.64 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.65 95.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.768 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -43.16 88.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.648 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.4 -45.52 93.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.465 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -55.2 -43.25 74.23 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.5 mt-30 -61.55 -41.51 97.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.773 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.93 93.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.697 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.55 -28.98 69.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.109 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.32 -4.75 54.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.471 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.41 15.03 67.2 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -98.68 78.68 2.37 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.244 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -64.82 -34.73 79.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.678 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.35 79.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.069 0.461 . . . . 0.0 110.729 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -65.17 -35.21 80.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.321 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.69 82.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.62 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.71 -42.51 99.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.586 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.76 98.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.79 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.79 -42.11 91.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.482 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.8 mtm -63.77 -40.3 96.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.63 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.65 -44.77 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.978 0.418 . . . . 0.0 110.447 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -64.06 -40.87 97.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.167 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.4 t -61.21 -45.95 92.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.576 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -60.25 -42.04 94.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.38 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -61.95 -41.57 98.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.214 0.531 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.41 99.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.22 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.83 -39.76 91.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.642 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -60.92 -41.71 96.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.283 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.25 -39.72 93.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.215 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.41 81.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -63.23 -37.94 89.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.13 110.407 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -61.18 -44.46 97.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.368 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.2 -43.58 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 0.0 109.972 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.729 HE21 ' NE2' ' A' ' 78' ' ' GLN . 1.0 OUTLIER -59.95 -42.81 94.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.273 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.582 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 82.2 m -57.49 -42.6 83.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 1.03 110.006 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.68 -39.29 93.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.531 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.96 -28.43 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.459 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 96.3 mt -86.0 -30.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.099 -0.5 . . . . 1.01 110.858 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -81.35 -10.88 59.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.98 -163.71 0.19 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -84.37 111.73 19.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.64 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.18 142.43 50.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.473 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.68 149.75 50.84 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.32 130.11 41.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.755 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.42 -15.42 61.2 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -78.82 139.41 38.37 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.703 0.287 . . . . 0.0 110.481 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.4 mtp -87.43 -73.81 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.648 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.557 ' NZ ' ' OE2' ' B' ' 5' ' ' GLU . 68.6 mmtt -95.08 -112.98 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.881 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.402 HG22 ' N ' ' A' ' 71' ' ' SER . 32.8 m -93.34 -143.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.657 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 70' ' ' VAL . 84.3 p -132.72 167.35 20.28 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.2 -43.75 83.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.645 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.83 -45.08 99.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.882 0.372 . . . . 0.0 110.577 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.97 -38.85 90.08 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.009 0.433 . . . . 1.03 110.931 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.7 t -58.54 -47.38 88.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.762 -0.654 . . . . 1.12 110.182 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -57.36 -44.23 84.21 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.357 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.81 98.73 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.483 -0.326 . . . . 1.01 110.602 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.729 ' NE2' HE21 ' A' ' 55' ' ' GLN . 92.8 mm-40 -61.28 -41.04 96.28 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.212 -0.449 . . . . 1.89 110.16 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.26 -44.4 88.36 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.447 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.674 ' CE1' ' O1 ' ' D' ' 200' ' ' PO3 . 53.5 m170 -68.1 -49.09 63.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.323 -0.398 . . . . 0.13 110.738 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.65 -45.65 93.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.788 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.43 -43.3 99.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.165 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.3 p -64.26 -46.73 82.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.111 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -62.65 -49.95 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.472 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.43 -48.55 78.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.486 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.47 -44.79 96.48 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.066 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.08 82.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.825 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -58.1 -46.32 85.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.101 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.487 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -60.78 -43.56 97.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.012 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.39 -42.62 96.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.163 0.506 . . . . 0.0 109.882 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.2 mt -60.42 -42.32 90.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.289 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.9 m -57.89 -45.92 85.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.884 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.434 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 99.6 mt-10 -63.22 -42.64 99.29 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.27 -42.45 95.4 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.96 -43.04 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.501 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.27 -38.49 89.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.118 0.485 . . . . 0.0 109.712 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.22 -41.99 98.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.872 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -60.65 -40.05 90.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 102' ' ' LYS . 84.6 tt0 -63.36 -38.04 89.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.141 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -65.06 -40.39 94.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.188 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.7 -42.09 98.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.418 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.4 mttt -91.33 145.06 24.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.818 -1.087 . . . . 0.0 110.502 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -61.31 -38.15 85.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.603 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' B' ' 6' ' ' GLU . 50.1 tp10 -58.62 -78.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.491 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' B' ' 3' ' ' GLU . 57.8 mt -38.58 -37.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.557 ' OE2' ' NZ ' ' A' ' 69' ' ' LYS . 51.0 tp10 -63.32 -48.83 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.893 0.378 . . . . 1.94 110.402 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.1 tt0 -67.87 -36.33 80.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.219 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.89 -43.08 97.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.436 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.8 -44.87 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.884 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.5 mtp -59.21 -41.35 88.4 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.563 -0.532 . . . . 1.05 109.563 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.96 -42.64 96.74 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.38 -42.81 98.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 0.0 110.331 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.411 HG12 ' HD1' ' B' ' 80' ' ' HIS . 94.6 mt -63.28 -44.2 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 1.08 109.685 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.86 -44.24 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 1.02 109.941 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' B' ' 14' ' ' ASN . 47.9 t-20 -60.32 -45.93 91.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.852 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -61.05 -42.96 99.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.163 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.48 -43.29 98.38 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.18 -43.02 99.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.63 80.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.84 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.21 -45.67 93.6 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.6 m -56.21 -44.16 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.1 -41.74 98.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.737 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.2 80.47 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.487 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.2 m-85 -60.09 -42.04 93.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.63 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.57 93.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.797 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.92 89.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.629 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.79 -45.4 94.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.379 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -55.54 -43.15 75.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.439 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.6 mt-30 -61.52 -40.89 96.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.852 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.64 96.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.675 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.87 -29.03 69.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.052 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.38 -4.8 54.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.65 14.94 66.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.55 78.79 2.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.76 0.314 . . . . 0.0 110.374 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -64.97 -34.74 79.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.606 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.45 79.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.111 0.481 . . . . 0.0 110.768 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.439 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.22 -34.82 79.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.422 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.73 81.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.529 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.51 -42.73 99.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.583 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.0 98.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.651 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.73 -42.27 91.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.5 mtm -63.64 -40.44 96.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.555 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.47 -44.77 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.923 0.392 . . . . 0.0 110.458 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.01 -40.73 97.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.297 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -61.65 -45.59 93.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.44 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -60.41 -41.95 94.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.248 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.92 -41.88 98.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.277 0.561 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.23 99.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.115 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.95 -39.67 90.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.728 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.01 -41.6 96.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.335 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.38 -39.69 92.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.96 82.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.441 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.78 -37.67 88.24 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.13 110.271 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.26 -44.25 97.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.371 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.68 -43.1 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.009 0.433 . . . . 0.0 110.044 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.747 HE21 ' NE2' ' B' ' 78' ' ' GLN . 1.0 OUTLIER -60.23 -42.72 95.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.227 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.569 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 86.3 m -57.68 -42.96 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.03 110.009 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.26 -39.11 91.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.929 0.395 . . . . 0.0 110.562 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.4 -28.04 69.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.757 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' NE2' ' B' ' 55' ' ' GLN . 96.4 mt -86.24 -30.7 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.546 . . . . 1.01 110.746 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.94 -10.79 59.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.58 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.03 -164.47 0.22 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -84.02 111.16 19.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.826 0.346 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.72 143.21 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.399 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.7 149.87 49.99 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.53 130.11 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.46 61.01 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -78.89 140.41 38.12 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.631 0.253 . . . . 0.0 110.432 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 99.7 mtp -88.51 -73.74 0.48 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.622 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.549 ' NZ ' ' OE2' ' C' ' 5' ' ' GLU . 68.7 mmtt -95.3 -112.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.841 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.4 m -91.72 -144.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.735 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.413 ' HG ' HD13 ' B' ' 74' ' ' LEU . 93.4 p -132.53 168.49 18.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.516 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.24 -43.24 92.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.548 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.46 -44.63 99.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.576 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.413 HD13 ' HG ' ' B' ' 71' ' ' SER . 87.4 mt -62.09 -38.47 88.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.122 0.487 . . . . 1.03 110.95 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 64.8 t -58.81 -47.19 90.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.804 -0.634 . . . . 1.12 110.302 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.467 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 11.5 t-160 -57.39 -44.21 84.3 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.863 -0.335 . . . . 2.11 110.303 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.88 98.66 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.843 0.354 . . . . 1.01 110.4 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.747 ' NE2' HE21 ' B' ' 55' ' ' GLN . 92.3 mm-40 -61.3 -40.82 95.58 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.89 110.234 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 48.2 tp -58.54 -44.55 89.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.419 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.467 ' CE1' ' NE2' ' B' ' 76' ' ' HIS . 52.9 m170 -67.96 -48.77 64.95 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.732 -0.387 . . . . 0.14 110.729 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.02 -45.46 93.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.879 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.43 -43.01 99.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.253 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.4 p -64.73 -46.26 82.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.49 -50.16 72.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.5 -48.53 79.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.486 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.5 -44.51 96.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.067 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.97 83.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.893 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -58.36 -46.0 87.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.225 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.493 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.3 mt-10 -60.89 -43.56 98.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.167 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.37 -42.56 96.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.188 0.518 . . . . 0.0 110.003 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.58 -42.48 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.251 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -57.64 -46.0 84.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.099 0.476 . . . . 0.0 109.842 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.432 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.6 mt-10 -63.29 -42.35 99.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.456 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.434 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 79.5 mt -60.44 -42.72 96.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.8 -43.0 94.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.533 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.12 -38.69 89.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.721 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.27 -41.73 98.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.797 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -60.79 -39.98 90.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.732 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' B' ' 102' ' ' LYS . 84.7 tt0 -63.24 -38.49 91.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.1 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.79 -40.22 94.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.149 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt -63.83 -42.17 97.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.396 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.5 mttt -91.46 145.2 24.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.386 0 CA-C-O 117.915 -1.04 . . . . 0.0 110.498 -179.783 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -61.5 -37.44 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' C' ' 6' ' ' GLU . 50.3 tp10 -59.31 -78.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' C' ' 3' ' ' GLU . 57.1 mt -38.61 -37.36 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.454 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . 0.549 ' OE2' ' NZ ' ' B' ' 69' ' ' LYS . 50.9 tp10 -63.21 -49.03 75.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.816 0.341 . . . . 1.94 110.382 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.2 tt0 -67.5 -36.59 81.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.334 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.57 -42.83 97.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.27 -44.61 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.972 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.7 mtp -59.59 -41.04 89.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.562 -0.533 . . . . 1.05 109.562 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.16 -42.62 96.36 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.12 -43.05 99.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 110.34 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.413 HG12 ' HD1' ' C' ' 80' ' ' HIS . 96.3 mt -63.15 -44.34 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 1.09 109.699 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.51 -44.33 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.029 -0.532 . . . . 1.02 110.055 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 47.9 t-20 -60.17 -46.35 89.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.818 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.0 p -60.6 -43.07 97.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.176 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.45 -43.7 97.81 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -61.92 -42.94 99.67 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -49.03 78.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.784 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -61.12 -45.57 94.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -56.33 -44.49 80.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.58 -41.67 97.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.709 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.28 80.2 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.493 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.5 m-85 -60.25 -41.85 94.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.567 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.38 94.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.72 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.94 89.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.616 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.67 -45.28 94.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.468 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -55.68 -43.1 76.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.539 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.6 mt-30 -61.66 -40.62 95.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.182 0.515 . . . . 0.0 110.025 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.75 96.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.796 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.97 -28.91 69.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.07 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.32 -4.64 54.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.453 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.36 15.0 67.38 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.7 78.15 2.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.752 0.31 . . . . 0.0 110.223 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -64.34 -35.08 79.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.56 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.22 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.067 0.461 . . . . 0.0 110.745 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . 0.445 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.36 -34.37 78.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.43 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.58 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.491 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.28 -43.23 99.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.557 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.11 -41.82 99.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mmm -65.81 -42.14 91.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 73.1 mtm -63.79 -40.56 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.68 -44.51 96.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.441 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.98 -40.97 97.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.273 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 42.7 t -61.52 -45.32 94.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -60.64 -41.82 95.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.281 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.02 -41.82 98.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.384 0.611 . . . . 0.0 110.552 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.65 99.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.316 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.64 -39.89 91.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.04 -41.52 96.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.379 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.24 -40.08 93.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 109.963 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -43.46 82.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.467 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.14 -37.75 88.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.14 110.332 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -61.61 -43.92 97.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.317 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.76 -43.26 93.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.056 0.455 . . . . 0.0 109.99 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.731 HE21 ' NE2' ' C' ' 78' ' ' GLN . 1.1 tm0? -60.29 -42.8 96.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.223 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' THR . . . . . 0.585 ' N ' ' OE1' ' C' ' 55' ' ' GLN . 90.1 m -57.6 -42.5 83.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 1.03 110.161 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.78 -38.98 92.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.911 0.386 . . . . 0.0 110.529 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.33 -27.97 69.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.462 ' CD1' ' NE2' ' C' ' 55' ' ' GLN . 96.3 mt -86.29 -30.73 6.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.569 . . . . 1.01 110.863 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.519 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.7 mm-40 -81.04 -10.67 59.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.44 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.15 -164.08 0.22 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -84.32 111.24 19.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.771 0.32 . . . . 0.0 110.526 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.58 142.8 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.31 149.9 50.4 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.53 130.39 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.554 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.27 -15.6 61.11 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -78.47 140.04 38.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.624 0.249 . . . . 0.0 110.58 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 99.7 mtp -88.3 -73.44 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.569 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -95.59 -113.01 0.13 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 33.4 m -91.3 -145.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.733 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.404 ' HG ' HD13 ' C' ' 74' ' ' LEU . 97.9 p -131.83 170.99 14.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.464 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.94 -43.85 94.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.708 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.16 -44.87 99.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 130.111 3.364 . . . . 0.0 110.532 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.404 HD13 ' HG ' ' C' ' 71' ' ' SER . 91.6 mt -64.15 -38.6 91.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.086 0.47 . . . . 1.03 110.979 177.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 65.7 t -58.82 -47.74 88.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.842 -0.617 . . . . 1.13 110.203 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.459 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 11.3 t-160 -57.58 -43.89 84.92 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.907 -0.317 . . . . 1.96 110.388 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.09 98.58 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.371 . . . . 1.01 110.384 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.731 ' NE2' HE21 ' C' ' 55' ' ' GLN . 92.3 mm-40 -61.07 -41.03 95.86 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.301 -0.409 . . . . 1.89 110.258 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.13 -44.59 87.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.483 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.459 ' CE1' ' NE2' ' C' ' 76' ' ' HIS . 52.5 m170 -68.13 -48.74 64.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.292 -0.413 . . . . 0.13 110.764 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.95 -45.51 93.33 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.809 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.3 mmm -61.36 -43.27 99.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.377 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -64.25 -46.85 81.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.255 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.16 -50.29 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.553 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.3 -48.7 78.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.489 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.24 -44.86 96.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.157 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.11 82.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.944 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -58.23 -45.99 86.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.282 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.61 -43.77 97.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.195 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.41 -42.63 95.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.199 0.523 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.2 mt -60.36 -42.64 91.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.375 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 87.1 m -57.39 -46.11 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.102 0.477 . . . . 0.0 109.996 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.22 -42.65 99.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.501 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.432 ' CD1' ' OE1' ' B' ' 93' ' ' GLU . 79.5 mt -60.04 -42.62 94.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.91 -43.14 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.624 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.9 -38.58 88.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.746 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.28 -41.65 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.869 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -60.95 -39.98 91.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' C' ' 102' ' ' LYS . 84.0 tt0 -63.29 -38.58 91.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.052 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.49 -40.29 95.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.233 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.88 -42.38 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.361 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.4 mttt -91.02 145.04 25.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.457 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.559 179.885 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.519 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 121.892 0.853 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.85 142.98 36.55 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.28 38.56 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.07 -1.019 . . . . 0.0 109.586 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.3 mm-40 -152.14 149.22 28.54 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.3 152.34 18.98 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.012 -1.055 . . . . 0.0 108.368 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.41 19.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.78 136.54 37.18 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.146 0.974 . . . . 0.0 110.104 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.93 114.26 24.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.87 -4.25 19.42 Favored 'General case' 0 C--N 1.265 -3.088 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.894 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.82 85.81 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 119.685 -1.884 . . . . 0.0 110.597 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.52 -47.68 12.92 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 124.734 3.623 . . . . 0.0 114.156 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.11 27.52 6.57 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 116.047 -2.261 . . . . 0.0 108.829 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.61 -126.97 28.14 Favored Glycine 0 N--CA 1.497 2.745 0 C-N-CA 117.611 -2.233 . . . . 0.0 109.537 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.5 tp -127.7 78.08 1.8 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.985 -1.303 . . . . 0.0 109.501 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -85.38 177.12 7.91 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 117.899 -1.521 . . . . 0.0 112.124 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.511 ' OG1' ' O1 ' ' D' ' 200' ' ' PO3 . 41.1 p -23.02 -70.47 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.565 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.6 ttt-85 -45.97 -65.83 0.61 Allowed Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.444 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.1 -32.17 64.19 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.95 1.767 . . . . 0.0 111.53 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.87 86.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.225 -0.922 . . . . 0.0 109.471 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.68 72.49 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.91 -39.39 94.07 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.034 -1.467 . . . . 0.0 109.493 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.534 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.7 -45.31 93.36 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.662 1.22 . . . . 0.0 108.683 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . 0.609 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 58.6 t -62.67 -42.3 95.54 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.624 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -63.85 -40.23 96.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.204 -0.935 . . . . 0.0 109.818 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.463 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.75 -39.75 80.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.508 -0.745 . . . . 0.0 109.547 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.0 91.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.598 -1.314 . . . . 0.0 109.393 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . 0.609 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.6 mttp -61.33 -16.26 44.16 Favored 'General case' 0 N--CA 1.511 2.575 0 O-C-N 121.32 -0.862 . . . . 0.0 113.313 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.53 86.06 Favored Glycine 0 N--CA 1.479 1.526 0 O-C-N 119.921 -1.737 . . . . 0.0 109.41 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.52 143.37 32.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.241 -1.74 . . . . 0.0 109.984 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.5 p -75.68 -30.03 59.23 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.267 -0.895 . . . . 0.0 112.275 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.71 158.48 10.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.826 -1.796 . . . . 0.0 112.834 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.585 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.2 35.34 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 102.878 -3.008 . . . . 0.0 102.878 171.221 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.67 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.435 0 O-C-N 121.107 -0.996 . . . . 0.0 109.313 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.416 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.8 m -124.98 143.18 51.03 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-O 123.095 1.426 . . . . 0.0 109.979 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.416 ' N ' HG23 ' D' ' 334' ' ' THR . 86.1 t -108.02 129.96 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 173.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 336' ' ' THR . . . . . . . . . . . . . 70.4 m -127.54 119.54 26.23 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.894 -1.128 . . . . 0.0 108.928 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.55 39.16 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 119.941 -0.703 . . . . 0.0 109.966 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.82 38.9 24.49 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.895 -1.128 . . . . 0.0 112.7 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.76 10.95 83.52 Favored Glycine 0 N--CA 1.503 3.123 0 O-C-N 119.975 -1.703 . . . . 0.0 112.515 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.84 136.26 54.55 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.8 158.55 33.08 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.805 1.764 . . . . 0.0 112.335 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.35 31.33 Favored 'General case' 0 C--N 1.279 -2.459 0 CA-C-N 112.453 -2.158 . . . . 0.0 108.598 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.641 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.57 135.98 48.91 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.02 -6.79 47.81 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.697 -1.252 . . . . 0.0 110.686 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.641 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.5 13.0 31.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.614 -1.304 . . . . 0.0 109.391 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.6 t -133.08 104.18 6.39 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.208 1.004 . . . . 0.0 110.152 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.24 -37.92 73.01 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.006 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -58.82 -51.45 69.94 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.63 -1.294 . . . . 0.0 113.034 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.54 70.77 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 119.505 -1.997 . . . . 0.0 109.178 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.72 -33.69 75.64 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.002 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.519 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.78 -10.37 52.18 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.657 -0.652 . . . . 0.0 109.932 -177.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.0 p -89.82 -7.73 53.68 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 118.081 -1.448 . . . . 0.0 110.937 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.6 mt -93.31 159.34 15.31 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.226 -0.921 . . . . 0.0 110.215 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 106.927 -2.469 . . . . 0.0 106.927 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.2 mt -119.57 47.38 1.72 Allowed 'General case' 0 C--N 1.308 -1.202 0 O-C-N 120.703 -1.469 . . . . 0.0 107.343 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 72.1 p -81.4 172.48 13.49 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.274 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.63 140.88 57.26 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.936 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.22 79.09 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 120.024 -1.084 . . . . 0.0 111.411 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.41 135.86 34.1 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.957 -1.319 . . . . 0.0 110.698 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.42 123.73 48.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.1 m -112.18 160.09 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 117.404 -1.718 . . . . 0.0 110.614 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.7 m -108.88 128.44 54.92 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.506 -1.371 . . . . 0.0 107.58 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.84 121.44 60.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 176.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.22 50.72 Favored 'General case' 0 C--N 1.284 -2.248 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.36 47.14 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.556 -1.258 . . . . 0.0 109.769 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.519 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.78 6.43 Favored 'General case' 0 C--N 1.288 -2.066 0 C-N-CA 118.57 -1.252 . . . . 0.0 108.025 178.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.39 40.14 Favored Glycine 0 C--N 1.295 -1.703 0 C-N-CA 118.023 -2.036 . . . . 0.0 110.359 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.27 -40.65 82.43 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 114.388 -0.906 . . . . 0.0 112.243 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.03 36.81 3.53 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 115.856 -2.337 . . . . 0.0 108.555 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.27 -33.66 65.7 Favored 'General case' 0 N--CA 1.522 3.157 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -45.57 27.58 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.624 -1.922 . . . . 0.0 111.003 -176.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.776 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.79 98.01 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.51 77.6 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 117.468 -1.693 . . . . 0.0 110.037 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.87 -42.2 88.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.223 1.011 . . . . 0.0 109.275 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.87 -47.96 76.41 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-O 122.083 0.944 . . . . 0.0 108.68 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.776 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.84 -38.22 76.44 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.686 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.62 -28.65 58.92 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.404 -1.435 . . . . 0.0 110.859 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.59 71.45 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.455 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.84 -49.33 62.76 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.463 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.21 -45.18 84.06 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.044 -1.062 . . . . 0.0 110.56 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.35 85.42 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.877 -1.139 . . . . 0.0 111.545 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.88 61.71 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.041 -1.037 . . . . 0.0 110.27 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.81 -32.39 46.27 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.459 -0.776 . . . . 0.0 111.325 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.41 12.15 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 124.327 2.013 . . . . 0.0 112.874 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.894 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.8 mt-10 . . . . . 0 C--N 1.278 -2.527 0 CA-C-N 111.11 -2.768 . . . . 0.0 110.155 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.674 ' O1 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -57.95 -37.58 74.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 6' ' ' GLU . 83.5 tt0 -61.72 -70.52 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' GLU . 57.8 mt -37.96 -38.97 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.444 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.42 -47.25 79.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.948 0.404 . . . . 1.94 110.314 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.5 mt-10 -66.56 -35.5 80.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.284 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.32 -42.4 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.4 -44.27 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.947 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.8 -41.77 87.52 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.534 -0.543 . . . . 1.04 109.534 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.94 -42.1 98.43 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.93 -42.59 99.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.869 0.366 . . . . 0.0 110.242 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.09 -43.92 99.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.02 -0.536 . . . . 1.05 109.763 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.422 HD13 HG22 ' A' ' 13' ' ' ILE . 86.1 mt -63.53 -43.98 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.004 -0.544 . . . . 1.02 109.967 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -60.81 -45.61 93.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.751 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -60.58 -43.95 96.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.946 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.547 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.11 -42.71 99.45 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.19 -43.11 99.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.49 76.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -60.49 -45.82 92.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -55.51 -44.49 76.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.32 -42.5 98.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.651 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.5 -50.33 74.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.7 -41.83 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.607 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.87 95.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -42.51 80.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.68 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.85 -44.91 96.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.457 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.4 -41.46 76.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.18 -43.67 98.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.831 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.61 93.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.647 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.649 ' NZ ' ' NE2' ' A' ' 98' ' ' HIS . 69.2 mmtt -61.11 -29.52 69.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.188 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -82.0 -3.89 55.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.497 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.91 15.93 73.86 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -96.79 81.11 3.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.78 0.324 . . . . 0.0 110.292 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -64.6 -34.95 79.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.669 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.51 83.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.032 0.444 . . . . 0.0 110.754 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.85 81.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.388 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.62 79.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.576 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -61.7 -42.59 99.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.638 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.52 99.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.8 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -64.86 -40.68 95.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.2 mmt -62.02 -41.49 98.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.665 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.48 -43.61 98.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.4 . . . . 0.0 110.493 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -65.36 -41.26 94.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.172 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.77 -46.23 90.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -60.62 -42.04 96.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.316 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.38 -43.66 98.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.233 0.539 . . . . 0.0 110.608 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.05 97.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.25 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.7 -40.5 95.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.609 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.4 HD21 ' HA ' ' A' ' 49' ' ' ASN . 8.1 m120 -61.05 -41.85 97.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.267 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.67 -40.61 92.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.187 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.3 78.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.501 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -60.7 -39.29 87.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.13 110.345 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.4 -44.29 95.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.341 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.57 -43.27 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.096 0.474 . . . . 0.0 110.037 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.651 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -59.67 -44.44 93.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.241 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -56.75 -42.5 79.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 1.03 110.107 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.57 -38.95 89.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.496 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.78 -32.7 74.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.687 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.449 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 76.8 mt -77.3 -32.23 18.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.033 -0.53 . . . . 1.01 110.864 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -80.85 -18.36 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.21 -20.23 26.06 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -93.61 -23.52 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.599 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.98 93.66 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.52 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' H ' ' HB3' ' A' ' 67' ' ' LYS . . . -92.08 177.66 39.94 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.49 111.75 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.649 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.88 1.51 87.39 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 64' ' ' GLY . 88.6 tttt -94.61 142.05 27.9 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.741 0.305 . . . . 0.0 110.414 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 68' ' ' MET . 4.5 mpp? -66.7 140.71 57.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.546 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -89.22 -6.55 56.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.4 t -99.99 117.07 44.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.719 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.499 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 87.1 p -129.48 162.54 27.9 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.2 mt -57.4 -45.94 84.02 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.609 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.24 -47.44 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-O 120.946 0.403 . . . . 0.0 110.621 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.651 ' CD2' HE22 ' A' ' 55' ' ' GLN . 83.3 mt -63.66 -42.08 98.12 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.168 -0.469 . . . . 1.03 110.903 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.86 -47.54 91.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.735 -0.666 . . . . 1.12 110.285 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.403 ' HD1' HG11 ' C' ' 70' ' ' VAL . 1.7 t60 -59.09 -45.5 90.68 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.294 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.81 94.77 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.752 0.311 . . . . 1.01 110.682 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.43 -40.06 95.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 1.89 110.156 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.8 tp -56.42 -47.48 78.95 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.406 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.58 ' NE2' ' O3 ' ' D' ' 200' ' ' PO3 . 42.9 m80 -67.95 -46.24 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 0.13 110.716 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.6 mt -60.74 -46.52 90.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.82 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.52 -42.71 99.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.205 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 21.5 p -64.35 -46.63 82.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.058 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.14 -49.41 75.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.49 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -58.05 -47.59 82.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.505 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.98 -44.6 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.058 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.4 80.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.82 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -58.06 -45.26 87.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.088 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -61.7 -43.62 98.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.04 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.22 -43.08 92.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.193 0.521 . . . . 0.0 109.861 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.2 mt -60.84 -42.59 93.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.249 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -57.95 -45.57 86.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 109.876 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.14 -43.49 95.05 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 70.8 mt -59.15 -43.83 92.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.0 -42.69 94.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.47 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.92 -40.43 93.13 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.29 -42.25 99.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.86 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.649 ' NE2' ' NZ ' ' A' ' 30' ' ' LYS . 67.4 m80 -60.2 -39.88 88.12 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.511 ' O ' ' O ' ' A' ' 102' ' ' LYS . 83.1 tt0 -61.84 -40.96 97.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.214 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.473 ' NZ ' ' HZ2' ' B' ' 30' ' ' LYS . 97.8 mttt -65.57 -38.01 88.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.217 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.3 -42.5 96.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.448 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.511 ' O ' ' O ' ' A' ' 99' ' ' GLU . 54.5 mtmt -96.59 142.25 28.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.512 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.545 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -57.92 -37.61 74.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 6' ' ' GLU . 84.7 tt0 -61.64 -70.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.496 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' B' ' 3' ' ' GLU . 59.0 mt -38.09 -39.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.3 -47.13 80.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.94 0.4 . . . . 1.94 110.387 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt-10 -66.49 -35.64 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.229 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.39 -42.12 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.32 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.69 -44.35 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.863 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.85 -41.96 88.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.55 -0.537 . . . . 1.05 109.55 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.78 -42.08 98.66 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.89 -42.63 99.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 110.375 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.18 -44.01 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.52 . . . . 1.08 109.646 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.27 -44.19 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 1.02 109.999 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.84 -45.36 94.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.822 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -60.45 -44.15 96.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.135 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.27 -42.15 99.36 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.55 -43.05 98.2 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.16 77.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.934 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.471 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 77.2 ttt180 -60.68 -45.73 93.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -55.78 -44.33 77.62 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.19 -42.57 99.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.15 74.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.486 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 7.8 m-85 -59.64 -41.95 91.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.705 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.94 95.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.671 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.26 80.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.675 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.05 -45.04 96.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.34 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.48 -41.17 76.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.47 -43.2 99.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.855 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.55 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.65 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.641 ' NZ ' ' NE2' ' B' ' 98' ' ' HIS . 69.3 mmtt -60.96 -29.88 69.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.059 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.95 -3.8 55.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.397 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.63 15.92 74.57 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.48 80.86 3.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.813 0.339 . . . . 0.0 110.356 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -64.4 -35.15 79.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.59 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.66 83.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.015 0.436 . . . . 0.0 110.789 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.65 81.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.398 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.56 78.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -61.52 -43.1 99.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.43 99.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.5 mmm -65.05 -40.58 94.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.555 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.0 mmt -62.17 -41.6 98.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.587 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.36 -43.8 97.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.463 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.11 -41.39 94.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.249 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.7 -46.61 88.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.471 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -60.14 -42.16 94.25 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.304 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 54.3 ttp -61.17 -43.67 98.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.282 0.563 . . . . 0.0 110.688 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.63 96.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.099 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.94 -40.24 94.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.767 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.25 -41.73 97.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.385 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.48 -41.01 93.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.152 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.75 -45.33 78.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.493 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.72 -39.34 88.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.13 110.223 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.2 mt -60.44 -44.04 96.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.318 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.0 -43.18 92.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.011 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.654 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.1 OUTLIER -59.47 -44.71 92.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.196 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.67 -42.61 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 1.03 109.933 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.41 -39.05 89.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.932 0.396 . . . . 0.0 110.593 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.75 -32.73 74.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.462 ' CD1' ' OE1' ' B' ' 55' ' ' GLN . 77.9 mt -77.31 -32.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.5 . . . . 1.01 110.737 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.68 -18.33 48.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.583 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.2 -20.44 25.47 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -93.55 -23.84 18.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.59 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.53 94.02 8.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.446 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.41 ' H ' ' HB3' ' B' ' 67' ' ' LYS . . . -92.17 177.74 39.83 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.82 111.56 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 110.621 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.17 1.91 88.46 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' B' ' 64' ' ' GLY . 88.6 tttt -95.28 142.2 27.96 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.619 0.247 . . . . 0.0 110.471 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' MET . . . . . 0.464 ' N ' ' SD ' ' B' ' 68' ' ' MET . 4.5 mpp? -67.0 141.28 57.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.619 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -89.63 -5.96 56.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.6 t -101.05 117.26 46.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.504 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 96.2 p -129.36 164.3 23.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.599 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 39.0 mt -59.7 -45.59 91.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.504 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.75 -46.57 94.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.763 0.316 . . . . 0.0 110.63 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.654 ' CD2' HE22 ' B' ' 55' ' ' GLN . 83.5 mt -64.13 -41.19 97.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 1.03 110.948 -179.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.71 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.849 -0.614 . . . . 1.12 110.264 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.454 ' CE1' ' CE1' ' B' ' 80' ' ' HIS . 54.4 t-80 -59.47 -45.52 91.41 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.841 -0.344 . . . . 2.11 110.367 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.55 96.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.945 0.403 . . . . 1.01 110.414 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -62.84 -40.14 96.52 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.14 -0.482 . . . . 1.89 110.238 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 48.1 tp -56.8 -46.64 81.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.398 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.454 ' CE1' ' CE1' ' B' ' 76' ' ' HIS . 43.1 m80 -68.43 -46.15 70.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.383 -0.371 . . . . 0.14 110.681 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.97 -46.3 91.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.856 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.69 -42.59 99.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.268 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 20.9 p -64.25 -46.84 81.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.16 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -61.9 -49.59 75.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.61 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.76 -48.04 80.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.468 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.82 -44.31 97.1 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.175 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.69 84.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.891 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -58.4 -45.5 88.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.285 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.481 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.8 mt-10 -61.28 -43.92 98.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.143 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.95 -43.03 94.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 109.963 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.87 -42.36 92.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.238 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -58.12 -46.05 86.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.077 0.465 . . . . 0.0 109.854 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.58 -43.74 96.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.414 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.531 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 71.9 mt -58.8 -43.96 90.65 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.02 -42.87 94.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.564 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.53 -40.45 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.54 -42.49 99.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.801 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.641 ' NE2' ' NZ ' ' B' ' 30' ' ' LYS . 67.2 m80 -59.74 -40.33 87.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.788 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.514 ' O ' ' O ' ' B' ' 102' ' ' LYS . 82.8 tt0 -61.47 -40.87 96.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.156 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.476 ' NZ ' ' HZ2' ' C' ' 30' ' ' LYS . 97.6 mttt -65.78 -38.12 88.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.133 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 38.9 mt -64.0 -43.26 96.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.325 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' B' ' 99' ' ' GLU . 54.2 mtmt -95.81 142.17 28.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.548 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.22 -37.34 74.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.614 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 83.8 tt0 -61.85 -70.68 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' C' ' 3' ' ' GLU . 56.9 mt -37.91 -39.03 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.47 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.41 -47.16 80.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.803 0.335 . . . . 1.94 110.348 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 96.8 mt-10 -66.47 -35.68 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.323 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.09 -42.55 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.365 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.21 -44.56 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.013 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.78 -41.49 86.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.621 -0.511 . . . . 1.05 109.621 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -41.96 98.06 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.98 -42.34 99.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.343 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.45 -44.06 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 1.09 109.629 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.17 -44.06 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 1.02 110.1 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.96 -45.28 95.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.784 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.7 -44.01 97.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.165 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -42.27 99.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -63.69 -42.61 97.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.848 -0.426 . . . . 0.0 109.848 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -49.54 76.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.747 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.481 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 77.3 ttt180 -60.37 -46.11 91.12 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -55.43 -44.68 76.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.77 -42.74 99.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.68 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.48 -50.51 73.63 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.471 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 7.9 m-85 -59.46 -41.88 90.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.531 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.2 95.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.736 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.08 85.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.576 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.84 -44.88 96.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.404 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.78 -41.12 77.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.59 -43.36 99.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.168 0.509 . . . . 0.0 109.879 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.77 94.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.775 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . 0.632 ' NZ ' ' NE2' ' C' ' 98' ' ' HIS . 69.3 mmtt -60.97 -29.82 69.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.1 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.7 -3.84 54.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.513 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.75 16.22 73.51 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.85 81.1 3.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -64.64 -34.92 79.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.483 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.64 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.1 0.476 . . . . 0.0 110.672 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.66 81.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.371 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.56 -48.74 78.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -61.52 -42.76 99.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.576 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.74 99.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -64.77 -40.84 95.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 11.1 mmt -61.87 -41.79 98.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.572 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.49 -43.65 98.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.42 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -64.99 -41.97 94.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.292 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.21 -46.56 89.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.604 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -60.31 -42.1 94.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.338 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 54.2 ttp -61.06 -43.91 98.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.36 0.6 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.97 97.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.359 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.55 -40.36 95.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.708 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.46 -41.69 97.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.43 -41.05 93.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.033 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.64 78.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.436 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.637 ' CD2' HD21 ' D' ' 312' ' ' ASN . 84.0 t60 -60.46 -39.32 87.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.048 -0.523 . . . . 0.14 110.307 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.52 -44.03 96.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.297 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.77 -43.45 93.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.096 0.474 . . . . 0.0 109.963 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.673 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.1 OUTLIER -59.42 -44.82 92.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.245 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.9 m -56.59 -42.32 78.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.303 -0.408 . . . . 1.03 110.177 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.66 -39.04 89.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.509 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.42 -32.74 74.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.458 ' CD1' ' OE1' ' C' ' 55' ' ' GLN . 76.8 mt -77.49 -32.24 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.053 -0.521 . . . . 1.01 110.829 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.602 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 76.0 mm-40 -80.91 -18.34 47.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.26 -20.17 26.12 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -93.67 -23.71 18.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.74 93.92 8.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.467 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . 0.418 ' H ' ' HB3' ' C' ' 67' ' ' LYS . . . -92.44 177.69 39.38 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.61 111.62 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 110.589 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.28 1.72 88.51 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.418 ' HB3' ' H ' ' C' ' 64' ' ' GLY . 88.6 tttt -94.95 141.92 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.597 0.237 . . . . 0.0 110.561 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' MET . . . . . 0.471 ' N ' ' SD ' ' C' ' 68' ' ' MET . 4.4 mpp? -66.88 141.2 57.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.601 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -89.63 -5.77 56.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.403 HG11 ' HD1' ' A' ' 76' ' ' HIS . 47.3 t -100.81 116.63 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.479 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 98.7 p -128.04 166.59 18.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.4 -44.93 96.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.676 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.63 -47.51 88.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 130.104 3.362 . . . . 0.0 110.621 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.673 ' CD2' HE22 ' C' ' 55' ' ' GLN . 86.3 mt -65.57 -41.46 92.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.101 0.477 . . . . 1.03 110.982 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.61 -47.91 90.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.806 -0.634 . . . . 1.13 110.177 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.452 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 54.5 t-80 -59.17 -45.66 90.43 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.835 -0.346 . . . . 1.96 110.352 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.66 95.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.873 0.368 . . . . 1.01 110.377 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.6 -40.15 96.01 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.229 -0.442 . . . . 1.89 110.242 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.65 -47.13 80.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.472 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.452 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 43.4 m80 -68.0 -46.4 71.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.361 -0.381 . . . . 0.13 110.717 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.8 mt -60.83 -46.17 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.81 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.88 -42.25 98.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.358 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 21.0 p -64.62 -46.78 81.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.143 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 10.9 t -62.12 -49.31 76.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.574 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.74 -48.09 80.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.496 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.82 -44.38 96.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.113 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.22 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.926 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -57.8 -45.72 85.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.29 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.16 -43.77 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.174 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.23 -43.11 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.193 0.52 . . . . 0.0 109.983 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.53 -42.51 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.438 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 75.1 m -58.21 -45.73 87.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 0.0 110.031 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.82 -43.38 96.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.468 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.532 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 72.0 mt -59.03 -43.91 91.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.279 0.561 . . . . 0.0 109.498 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.417 HD11 HG21 ' C' ' 95' ' ' ILE . 87.8 mt -61.01 -42.68 93.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.526 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.78 -40.34 92.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.45 -42.62 99.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.881 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.632 ' NE2' ' NZ ' ' C' ' 30' ' ' LYS . 67.4 m80 -59.71 -40.31 87.54 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.746 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.525 ' O ' ' O ' ' C' ' 102' ' ' LYS . 84.1 tt0 -61.63 -40.74 95.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.107 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.8 -38.31 88.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.17 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.84 -43.11 97.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.399 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.525 ' O ' ' O ' ' C' ' 99' ' ' GLU . 54.4 mtmt -95.97 142.15 28.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.384 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.526 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.517 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 121.869 0.842 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 143.02 36.73 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.32 38.6 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.025 -1.047 . . . . 0.0 109.564 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.4 18.88 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.054 -1.028 . . . . 0.0 108.386 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.92 144.32 19.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.68 136.54 37.07 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 122.155 0.979 . . . . 0.0 110.197 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.89 114.27 24.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.2 p -106.92 -4.23 19.35 Favored 'General case' 0 C--N 1.265 -3.071 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.896 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.78 85.69 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 119.675 -1.891 . . . . 0.0 110.636 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -45.54 -47.61 13.06 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 124.734 3.622 . . . . 0.0 114.086 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.637 HD21 ' CD2' ' C' ' 52' ' ' HIS . 11.2 m120 -102.17 27.5 6.62 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 116.127 -2.229 . . . . 0.0 108.77 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.24 -123.95 21.71 Favored Glycine 0 N--CA 1.495 2.605 0 C-N-CA 117.718 -2.182 . . . . 0.0 109.633 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.4 tp -132.08 76.31 1.69 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.924 -1.339 . . . . 0.0 109.521 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.408 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.4 OUTLIER -83.7 174.14 10.74 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 117.894 -1.522 . . . . 0.0 112.14 -179.562 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.541 ' OG1' ' O3 ' ' D' ' 200' ' ' PO3 . 4.1 p -21.99 -69.41 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.547 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 24.5 ttt-85 -44.23 -66.41 0.47 Allowed Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 120.172 -0.611 . . . . 0.0 112.493 -177.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.9 Cg_endo -64.58 -32.22 58.88 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 C-N-CA 121.675 1.583 . . . . 0.0 111.507 176.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.89 87.16 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.21 -0.931 . . . . 0.0 109.526 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.92 -39.74 72.52 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.98 -39.36 93.95 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 117.995 -1.482 . . . . 0.0 109.494 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.54 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.35 93.19 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.572 1.177 . . . . 0.0 108.646 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.65 -42.22 95.21 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.674 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -63.95 -40.25 96.0 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.281 -0.887 . . . . 0.0 109.734 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.464 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.76 80.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.43 -0.794 . . . . 0.0 109.586 177.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.94 -44.07 91.3 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.752 -1.217 . . . . 0.0 109.445 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.33 -16.15 43.06 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.52 86.15 Favored Glycine 0 N--CA 1.479 1.545 0 O-C-N 119.94 -1.725 . . . . 0.0 109.342 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.5 143.33 32.87 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.271 -1.723 . . . . 0.0 109.995 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.57 -30.05 59.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.227 -0.921 . . . . 0.0 112.353 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.54 10.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 119.818 -1.801 . . . . 0.0 112.829 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.2 35.31 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 102.832 -3.025 . . . . 0.0 102.832 171.223 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.392 0 O-C-N 121.096 -1.002 . . . . 0.0 109.361 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.411 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.3 m -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-O 123.094 1.426 . . . . 0.0 109.9 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.411 ' N ' HG23 ' D' ' 334' ' ' THR . 85.9 t -108.12 129.89 61.58 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.701 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.6 m -127.39 119.58 26.51 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.86 -1.15 . . . . 0.0 108.96 -178.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.0 t -122.59 122.58 39.18 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.591 -0.693 . . . . 0.0 109.898 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.78 38.91 24.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.884 -1.135 . . . . 0.0 112.781 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.07 83.5 Favored Glycine 0 N--CA 1.502 3.088 0 O-C-N 120.001 -1.687 . . . . 0.0 112.557 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.93 136.28 54.58 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.78 158.54 33.09 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-O 123.831 1.777 . . . . 0.0 112.427 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.33 31.27 Favored 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 112.436 -2.165 . . . . 0.0 108.576 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.646 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 7.9 t -70.56 135.97 48.91 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 173.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.01 -6.74 47.52 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.68 -1.262 . . . . 0.0 110.763 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.646 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.47 12.96 31.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.677 -1.264 . . . . 0.0 109.458 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.5 m -133.0 104.16 6.4 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 122.098 0.952 . . . . 0.0 110.197 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.6 tp -57.24 -37.99 73.12 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.918 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -58.86 -51.4 70.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.628 -1.295 . . . . 0.0 113.074 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -69.99 -32.48 70.7 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 119.542 -1.974 . . . . 0.0 109.186 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.76 -33.69 75.69 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.975 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.602 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.71 -10.44 52.45 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.618 -0.676 . . . . 0.0 109.885 -177.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.0 p -89.8 -7.69 53.82 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.935 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.501 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 96.6 mt -93.38 159.27 15.33 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.213 -0.929 . . . . 0.0 110.128 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.91 2.97 Favored Glycine 0 N--CA 1.485 1.943 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.61 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 120.74 -1.447 . . . . 0.0 107.432 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 3.6 p -81.48 172.63 13.28 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.272 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -60.73 140.92 57.37 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.867 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.2 78.93 Favored Glycine 0 N--CA 1.5 2.963 0 C-N-CA 120.02 -1.086 . . . . 0.0 111.375 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.47 135.91 34.05 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.941 -1.329 . . . . 0.0 110.648 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 91.0 t -96.56 123.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.1 160.05 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 119.997 -1.689 . . . . 0.0 110.67 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.5 m -108.83 128.38 54.84 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.516 -1.365 . . . . 0.0 107.594 175.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.87 121.45 60.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.33 50.72 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 -179.599 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.81 153.42 47.09 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.765 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.517 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.79 6.42 Favored 'General case' 0 C--N 1.288 -2.094 0 C-N-CA 118.509 -1.276 . . . . 0.0 107.997 178.229 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.3 40.16 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 117.979 -2.058 . . . . 0.0 110.365 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.58 82.6 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.428 -0.886 . . . . 0.0 112.248 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.65 3.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 118.968 -2.333 . . . . 0.0 108.603 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.25 -33.67 65.64 Favored 'General case' 0 N--CA 1.521 3.124 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.418 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.53 27.75 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.544 -1.972 . . . . 0.0 111.02 -176.562 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.782 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.77 97.83 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.5 77.62 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 117.442 -1.703 . . . . 0.0 110.025 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.78 -42.26 89.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-O 122.231 1.015 . . . . 0.0 109.291 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.86 76.58 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-O 122.107 0.956 . . . . 0.0 108.789 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.782 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.82 -38.33 76.53 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.651 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.54 HD22 ' CE1' ' D' ' 322' ' ' PHE . 79.8 mt -75.63 -28.61 58.87 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.369 -1.457 . . . . 0.0 110.85 -174.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.47 70.94 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.436 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.9 -49.24 63.07 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.464 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.26 -45.27 84.15 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.042 -1.063 . . . . 0.0 110.523 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.28 -37.38 85.31 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.895 -1.128 . . . . 0.0 111.609 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.79 61.58 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.17 -0.956 . . . . 0.0 110.215 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -78.87 -32.33 45.91 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.517 -0.739 . . . . 0.0 111.304 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.06 125.47 12.24 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 124.313 2.006 . . . . 0.0 112.877 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.896 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.2 tt0 . . . . . 0 C--N 1.277 -2.548 0 CA-C-N 111.134 -2.757 . . . . 0.0 110.126 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.58 ' O3 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -57.73 -36.24 71.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 6' ' ' GLU . 96.9 mt-10 -58.82 -76.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.482 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' GLU . 61.7 mt -37.92 -38.44 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.83 -46.91 79.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.946 0.403 . . . . 1.94 110.284 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.8 tt0 -67.22 -36.41 81.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.217 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.78 -42.18 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.363 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.9 t -60.29 -44.87 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.93 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -58.91 -40.85 85.76 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.564 -0.532 . . . . 1.04 109.564 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.27 97.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.83 -42.76 99.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.174 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.1 -43.85 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 1.05 109.784 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.02 -44.08 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.553 . . . . 1.02 109.984 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.22 -45.98 92.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.813 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.5 p -60.64 -43.36 97.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.003 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -42.71 98.92 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.576 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 93.7 mm-40 -63.4 -42.52 98.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 -48.98 78.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.883 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.48 -46.39 90.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.0 m -54.69 -43.96 72.97 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.19 -42.0 99.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.689 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.82 76.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.365 0.603 . . . . 0.0 109.388 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.78 -42.79 94.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.557 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.0 93.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.72 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.67 -42.62 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.652 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.62 -45.58 93.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.485 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.96 -41.88 75.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 36' ' ' ALA . 26.2 mt-30 -62.01 -41.5 98.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.857 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.86 93.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.701 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.63 -28.82 69.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.14 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -80.4 -4.58 54.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.462 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.97 14.61 69.18 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.35 79.23 2.51 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -64.51 -34.73 78.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.676 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.33 83.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.063 0.459 . . . . 0.0 110.742 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' C ' ' NE2' ' A' ' 28' ' ' GLN . . . -65.45 -34.9 79.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.322 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.36 83.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.605 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.35 -42.61 99.54 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.591 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.1 98.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.801 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.36 -42.02 93.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.486 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.01 -40.76 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.633 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.65 -44.97 94.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.84 -41.13 97.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.212 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -61.11 -45.69 93.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.685 ' HE ' HH12 ' A' ' 88' ' ' ARG . 41.2 ttm180 -60.99 -42.23 98.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.323 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.3 -42.24 99.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.158 0.504 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.58 99.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.157 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.06 -39.21 89.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.736 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.41 -42.89 96.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.307 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.6 -39.89 92.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.226 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.51 80.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -62.2 -37.84 86.86 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.061 -0.518 . . . . 0.13 110.439 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.02 -43.97 98.1 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.33 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.43 -42.87 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.013 0.435 . . . . 0.0 110.05 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.435 HE22 ' CG1' ' A' ' 59' ' ' ILE . 9.3 tm0? -60.65 -44.27 96.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.239 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -56.7 -42.64 79.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 1.03 110.037 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.76 -38.61 88.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.425 . . . . 0.0 110.58 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.94 -29.15 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.685 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.435 ' CG1' HE22 ' A' ' 55' ' ' GLN . 95.9 mt -88.47 -32.13 5.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 1.01 110.812 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -83.1 -7.54 59.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.09 131.79 48.47 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.511 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 57.5 t0 -90.64 -1.51 57.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.593 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.46 54.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.554 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.29 124.28 7.27 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.576 ' C ' ' H ' ' A' ' 67' ' ' LYS . 97.3 mt-10 -95.7 111.95 23.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.84 0.352 . . . . 0.0 110.657 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.19 -20.89 0.54 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.576 ' H ' ' C ' ' A' ' 65' ' ' GLU . 63.7 pttt -101.22 140.29 35.71 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.671 0.272 . . . . 0.0 110.46 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 76.9 mtm -94.38 -92.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -106.24 -46.99 3.92 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.803 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.37 123.17 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.709 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.416 ' HG ' ' CG ' ' A' ' 74' ' ' LEU . 5.7 p -129.97 162.28 29.02 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 mt -58.05 -44.54 87.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.619 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.3 t -65.83 -47.02 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.904 0.383 . . . . 0.0 110.595 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.416 ' CG ' ' HG ' ' A' ' 71' ' ' SER . 93.2 mt -64.5 -43.18 94.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.206 -0.452 . . . . 1.03 110.884 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.94 -47.84 91.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.753 -0.658 . . . . 1.12 110.218 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.42 -46.14 89.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.778 0.323 . . . . 0.0 110.317 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.77 90.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.466 -0.333 . . . . 1.01 110.607 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -61.59 -38.43 87.52 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.89 110.159 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.2 tp -56.78 -47.59 79.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.403 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.521 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 51.0 m80 -68.09 -47.54 67.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.277 -0.419 . . . . 0.13 110.703 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.18 -47.09 87.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.865 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.76 -42.89 99.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.217 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.2 p -63.5 -45.56 90.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.068 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.98 -47.45 84.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.387 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.55 -46.92 83.33 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.545 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.99 -44.38 96.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.077 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.07 80.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.871 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.685 HH12 ' HE ' ' A' ' 45' ' ' ARG . 71.4 ttp85 -58.4 -44.78 89.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.186 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.5 mt-10 -61.53 -43.48 98.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.115 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.6 mt -64.47 -43.45 94.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.177 0.513 . . . . 0.0 109.767 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.93 -42.49 92.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.224 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 m -58.03 -46.26 85.61 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.2 -43.31 98.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.607 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 23.1 mt -59.06 -43.25 91.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.324 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.03 -42.87 94.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.537 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -61.38 -39.86 92.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.42 -42.22 99.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.835 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -60.88 -39.8 90.62 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 103' ' ' ALA . 81.8 tt0 -64.01 -38.25 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.184 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -63.85 -40.71 97.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.218 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.81 -41.77 97.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.417 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -93.28 -5.83 48.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.524 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.587 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -57.82 -36.11 71.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.512 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 6' ' ' GLU . 96.8 mt-10 -58.81 -76.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.45 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' B' ' 3' ' ' GLU . 61.3 mt -37.93 -38.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.467 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.02 -46.87 79.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 1.94 110.393 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.0 tt0 -67.22 -36.15 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.23 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 82.4 t -64.06 -42.22 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.7 t -60.35 -44.61 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.866 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.25 -40.89 87.39 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.522 -0.548 . . . . 1.05 109.522 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.49 -42.27 97.59 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.86 -42.67 99.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.354 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.24 -44.03 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.933 -0.576 . . . . 1.08 109.711 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -44.49 98.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.916 -0.583 . . . . 1.02 109.98 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -60.83 -46.3 91.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.844 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -60.11 -43.53 95.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.159 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.13 99.09 Favored Glycine 0 C--N 1.332 0.352 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.2 -42.38 99.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -48.65 80.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.866 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.63 -46.49 90.08 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 69.6 m -54.69 -43.64 72.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.37 -42.45 98.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.733 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.85 76.12 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.46 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.0 m-85 -59.77 -42.72 93.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.596 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.63 93.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.62 91.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.617 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.42 -45.92 92.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.347 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -55.63 -42.33 74.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.538 ' NE2' ' C ' ' B' ' 36' ' ' ALA . 26.3 mt-30 -61.63 -41.55 97.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.813 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.88 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.719 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.88 -28.48 69.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.068 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -80.58 -4.95 55.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.432 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.27 14.34 69.05 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.06 79.37 2.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.765 0.316 . . . . 0.0 110.289 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -64.83 -34.73 79.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.61 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.58 82.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.04 0.448 . . . . 0.0 110.781 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.538 ' C ' ' NE2' ' B' ' 28' ' ' GLN . . . -65.12 -35.19 80.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.366 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.37 83.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.608 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.02 -43.0 99.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 110.633 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.23 98.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.644 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.3 -42.23 93.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.69 -40.62 97.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.558 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.85 -44.96 94.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.496 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.89 -40.8 97.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.243 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 41.8 t -61.56 -45.45 94.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.684 ' HE ' HH12 ' B' ' 88' ' ' ARG . 41.3 ttm180 -61.38 -42.26 98.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.261 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.74 -42.81 99.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 110.643 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.58 99.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.135 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.28 -39.22 89.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.749 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.39 -42.45 95.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.331 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.99 -40.16 90.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.16 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.74 -44.68 80.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.422 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.26 -37.75 86.66 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.13 110.294 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.02 -44.0 98.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 68.1 t -66.5 -42.76 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.043 0.449 . . . . 0.0 110.049 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.443 HE22 ' CG1' ' B' ' 59' ' ' ILE . 9.2 tm0? -60.66 -44.26 96.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.242 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -56.82 -42.66 79.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 1.03 110.018 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.71 -38.52 88.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 0.0 110.54 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.02 -28.94 70.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.733 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.443 ' CG1' HE22 ' B' ' 55' ' ' GLN . 96.1 mt -88.78 -32.29 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 1.01 110.779 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -83.13 -6.92 59.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.49 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.71 131.46 46.51 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 57.9 t0 -90.63 -1.46 57.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 110.524 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.56 54.51 1.36 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.436 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.26 124.24 7.25 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.57 ' C ' ' H ' ' B' ' 67' ' ' LYS . 97.5 mt-10 -95.62 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 0.0 110.598 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.37 -21.08 0.55 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.57 ' H ' ' C ' ' B' ' 65' ' ' GLU . 63.9 pttt -101.32 140.77 35.16 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.618 0.247 . . . . 0.0 110.454 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 76.9 mtm -94.7 -91.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.638 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -107.34 -46.36 3.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.787 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.8 t -103.47 122.17 55.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.817 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.417 ' HG ' ' CG ' ' B' ' 74' ' ' LEU . 10.0 p -129.04 163.77 24.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.519 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 34.8 mt -60.04 -44.7 94.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.633 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 67.6 t -64.39 -46.89 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.625 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.417 ' CG ' ' HG ' ' B' ' 71' ' ' SER . 91.0 mt -64.4 -43.05 95.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.126 0.489 . . . . 1.03 111.013 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.89 -47.68 92.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.781 -0.645 . . . . 1.12 110.309 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -59.46 -46.36 88.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.828 -0.349 . . . . 2.11 110.346 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.91 90.13 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.928 0.394 . . . . 1.01 110.448 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -61.25 -38.7 87.62 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.146 -0.479 . . . . 1.89 110.194 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp -56.97 -47.31 81.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.403 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -68.13 -47.45 68.08 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.821 -0.352 . . . . 0.14 110.705 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.36 -47.0 87.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.856 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.66 -43.04 99.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.246 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.6 p -63.39 -45.33 91.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.192 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -62.1 -47.28 85.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.86 -46.86 84.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.482 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.67 -44.8 96.27 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.44 79.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.935 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.684 HH12 ' HE ' ' B' ' 45' ' ' ARG . 71.9 ttp85 -57.83 -45.01 86.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.252 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.458 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -61.53 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.176 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.42 -43.16 95.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 110.01 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.12 -42.52 93.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.237 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 71.2 m -58.02 -46.12 85.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.041 0.448 . . . . 0.0 109.828 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.43 -42.91 98.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.45 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.553 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 23.4 mt -59.5 -43.26 93.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.95 -43.04 95.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.55 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -61.07 -40.13 92.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.733 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.35 -42.02 99.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.803 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.7 m80 -61.0 -40.07 92.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.582 ' O ' ' N ' ' B' ' 103' ' ' ALA . 81.4 tt0 -63.65 -38.78 92.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.094 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.48 -40.71 97.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.197 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.75 -42.07 97.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.344 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -93.09 -5.96 49.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . 0.582 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.6 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -57.33 -35.79 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.647 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.8 mt-10 -59.04 -76.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' C' ' 3' ' ' GLU . 61.5 mt -38.1 -38.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.475 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.83 -46.71 80.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.836 0.35 . . . . 1.94 110.443 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.3 tt0 -67.41 -36.45 81.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.305 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.58 -42.03 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.7 -44.42 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.001 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.34 -41.4 89.1 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.601 -0.518 . . . . 1.05 109.601 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.92 -42.33 98.38 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.71 -42.77 99.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.394 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.4 -43.6 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 1.09 109.713 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.87 -44.09 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.066 -0.515 . . . . 1.02 110.031 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.32 -45.91 92.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.765 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -60.5 -43.63 96.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.232 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.34 98.84 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -62.73 -43.12 99.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.65 75.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.99 -46.66 88.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.0 m -54.3 -44.58 72.08 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.49 -42.49 99.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.754 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.18 74.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.458 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.41 -43.13 93.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.561 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.67 92.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.668 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.37 90.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.564 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.73 -45.77 92.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.464 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -55.95 -41.74 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.548 ' NE2' ' C ' ' C' ' 36' ' ' ALA . 26.2 mt-30 -62.31 -40.93 97.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.874 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.6 94.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.822 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.15 -28.57 69.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.062 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -80.48 -4.92 55.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.417 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.34 14.53 68.48 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -98.48 79.24 2.48 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.6 -34.89 79.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.579 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.12 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.713 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . 0.548 ' C ' ' NE2' ' C' ' 28' ' ' GLN . . . -65.63 -35.1 79.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -47.23 83.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.488 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.07 -43.23 99.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.611 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.16 99.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.768 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.38 -41.98 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.542 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.91 -40.95 97.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.644 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.56 -44.98 94.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.77 -40.82 97.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.279 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -61.64 -45.44 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.562 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.679 ' HE ' HH12 ' C' ' 88' ' ' ARG . 41.6 ttm180 -61.15 -42.24 98.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.96 0.409 . . . . 0.0 110.351 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.89 -42.85 99.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.349 0.595 . . . . 0.0 110.531 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.4 99.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.379 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.48 -39.29 88.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.752 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.37 -42.83 96.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.396 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.68 -40.18 92.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.038 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.17 80.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.474 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.558 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.6 t-80 -61.71 -38.04 86.38 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.932 -0.576 . . . . 0.14 110.328 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.88 -44.16 97.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.29 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.15 -42.86 92.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.044 0.449 . . . . 0.0 109.997 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.449 HE22 ' CG1' ' C' ' 59' ' ' ILE . 9.2 tm0? -60.88 -44.25 97.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.225 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -56.71 -42.46 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 1.03 110.173 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.99 -38.55 88.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.496 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.75 -29.25 70.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.794 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.449 ' CG1' HE22 ' C' ' 55' ' ' GLN . 95.9 mt -88.4 -32.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 1.01 110.861 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 80.3 mm-40 -83.35 -7.11 59.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.36 132.29 47.88 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.511 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 58.2 t0 -91.29 -1.45 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.571 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.46 54.61 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.36 124.35 7.31 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . 0.589 ' C ' ' H ' ' C' ' 67' ' ' LYS . 97.8 mt-10 -95.62 112.48 24.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 110.609 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.87 -21.19 0.48 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.589 ' H ' ' C ' ' C' ' 65' ' ' GLU . 64.1 pttt -100.9 140.42 35.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.676 0.274 . . . . 0.0 110.59 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 76.8 mtm -94.44 -91.83 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.58 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.538 ' NZ ' ' CE1' ' D' ' 348' ' ' PHE . 53.6 mtmt -107.06 -46.44 3.91 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 17.6 t -103.08 121.87 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.787 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.413 ' HG ' ' CG ' ' C' ' 74' ' ' LEU . 10.1 p -127.89 166.51 18.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.508 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.14 -43.65 98.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.696 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.89 -47.33 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 130.13 3.372 . . . . 0.0 110.633 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.413 ' CG ' ' HG ' ' C' ' 71' ' ' SER . 90.0 mt -66.63 -42.96 85.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.067 0.46 . . . . 1.03 110.973 178.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.96 -47.97 91.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.771 -0.65 . . . . 1.13 110.23 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -59.73 -46.61 88.59 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.894 -0.322 . . . . 1.96 110.264 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.9 -45.68 91.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.851 0.357 . . . . 1.01 110.374 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -61.35 -38.59 87.5 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.26 -0.427 . . . . 1.89 110.276 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp -56.87 -47.59 80.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.472 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -67.93 -47.66 68.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 0.13 110.749 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.1 -47.16 87.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.822 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.43 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.38 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.4 p -63.24 -45.11 93.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.195 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.13 -47.56 84.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.4 -47.27 82.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.436 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.49 -44.86 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.188 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.25 79.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.869 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.679 HH12 ' HE ' ' C' ' 45' ' ' ARG . 71.5 ttp85 -58.17 -44.84 88.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.219 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.139 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.46 -43.36 94.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 109.97 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.85 -42.69 93.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.4 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.7 m -57.88 -46.07 85.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.442 . . . . 0.0 109.986 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.39 -43.24 98.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.473 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.555 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 22.8 mt -59.09 -43.28 91.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 84.7 mt -61.05 -43.07 95.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.631 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.78 -40.3 92.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.148 0.499 . . . . 0.0 109.829 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.05 -42.33 99.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.885 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.555 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.8 m80 -60.77 -39.99 90.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.588 ' O ' ' N ' ' C' ' 103' ' ' ALA . 81.4 tt0 -63.67 -39.0 93.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.062 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.21 -40.56 97.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.249 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.01 -41.98 97.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.296 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -93.25 -6.23 48.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.438 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.446 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.517 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.905 0.86 . . . . 0.0 108.881 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.08 36.66 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.31 38.51 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.0 -1.063 . . . . 0.0 109.556 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.13 149.21 28.53 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.28 152.31 19.0 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.025 -1.047 . . . . 0.0 108.364 178.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.76 144.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.72 136.57 37.07 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 122.162 0.982 . . . . 0.0 110.131 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.86 114.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.87 -4.34 19.31 Favored 'General case' 0 C--N 1.265 -3.067 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.893 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.42 141.87 86.08 Favored Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 119.612 -1.93 . . . . 0.0 110.612 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.59 -47.6 13.19 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 124.7 3.6 . . . . 0.0 114.184 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.558 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.0 m-20 -102.17 27.49 6.63 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 116.125 -2.23 . . . . 0.0 108.799 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.11 -127.5 27.34 Favored Glycine 0 N--CA 1.497 2.715 0 C-N-CA 117.698 -2.192 . . . . 0.0 109.538 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.04 78.06 1.82 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.861 -1.376 . . . . 0.0 109.482 -177.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.408 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.5 OUTLIER -84.56 176.38 8.65 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 117.891 -1.524 . . . . 0.0 112.108 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.502 ' OG1' ' O2 ' ' D' ' 200' ' ' PO3 . 13.6 p -21.65 -69.58 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.576 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 4.5 ttt-85 -45.01 -66.16 0.53 Allowed Pre-proline 0 N--CA 1.493 1.709 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.499 -177.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.6 Cg_endo -64.85 -32.16 56.04 Favored 'Trans proline' 0 N--CA 1.485 0.985 0 C-N-CA 121.904 1.736 . . . . 0.0 111.434 176.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.84 86.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.209 -0.932 . . . . 0.0 109.505 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.75 72.41 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -63.91 -39.4 94.08 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 117.965 -1.494 . . . . 0.0 109.493 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.545 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.72 -45.23 93.71 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 122.575 1.178 . . . . 0.0 108.748 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.72 -42.21 95.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.623 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -63.9 -40.26 96.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.226 -0.921 . . . . 0.0 109.763 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.463 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.73 -39.7 80.23 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.381 -0.824 . . . . 0.0 109.617 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.95 91.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.551 -1.343 . . . . 0.0 109.422 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.41 -16.19 44.17 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 121.315 -0.866 . . . . 0.0 113.323 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.88 -10.55 86.08 Favored Glycine 0 N--CA 1.478 1.499 0 O-C-N 119.955 -1.715 . . . . 0.0 109.339 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.414 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.49 143.29 32.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.231 -1.746 . . . . 0.0 110.03 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.4 p -75.57 -30.05 59.53 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.229 -0.919 . . . . 0.0 112.325 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.75 158.61 10.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 119.806 -1.809 . . . . 0.0 112.826 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.28 35.36 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 102.807 -3.034 . . . . 0.0 102.807 171.291 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.71 136.52 60.58 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.415 0 O-C-N 121.112 -0.993 . . . . 0.0 109.278 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.0 m -124.93 143.19 50.99 Favored 'General case' 0 C--N 1.284 -2.248 0 CA-C-O 123.091 1.424 . . . . 0.0 109.978 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 87.0 t -108.04 129.93 61.39 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.744 0 N-CA-C 105.551 -2.018 . . . . 0.0 105.551 173.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.1 m -127.45 119.59 26.46 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.859 -1.151 . . . . 0.0 108.895 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.58 122.6 39.25 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.906 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.85 38.85 24.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.868 -1.145 . . . . 0.0 112.767 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.02 83.53 Favored Glycine 0 N--CA 1.502 3.056 0 O-C-N 119.972 -1.705 . . . . 0.0 112.588 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.89 136.29 54.56 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.79 158.47 33.27 Favored 'General case' 0 C--N 1.275 -2.646 0 CA-C-O 123.809 1.766 . . . . 0.0 112.467 -176.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.58 151.4 31.5 Favored 'General case' 0 C--N 1.279 -2.493 0 CA-C-N 112.472 -2.149 . . . . 0.0 108.585 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.648 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.56 135.88 48.85 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.92 -6.77 47.44 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.692 -1.255 . . . . 0.0 110.73 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.648 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.45 12.93 31.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.612 -1.305 . . . . 0.0 109.39 -177.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.8 t -133.1 104.11 6.35 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 122.215 1.007 . . . . 0.0 110.174 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.1 tp -57.17 -37.92 72.82 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.968 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . 0.538 ' CE1' ' NZ ' ' C' ' 69' ' ' LYS . 91.4 m-85 -59.03 -51.28 70.74 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.61 -1.306 . . . . 0.0 113.021 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.04 -32.47 70.62 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 119.527 -1.983 . . . . 0.0 109.223 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.7 -33.78 75.8 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.932 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.547 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.7 -10.41 52.19 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.731 -0.606 . . . . 0.0 109.953 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.3 p -89.76 -7.79 53.66 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.965 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.46 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 94.9 mt -93.3 159.27 15.34 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 110.16 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.79 2.96 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 106.889 -2.485 . . . . 0.0 106.889 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.55 47.43 1.71 Allowed 'General case' 0 C--N 1.308 -1.222 0 O-C-N 120.745 -1.444 . . . . 0.0 107.467 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 3.8 p -81.45 172.51 13.43 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.864 -1.134 . . . . 0.0 109.232 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.7 140.92 57.33 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.384 -0.926 . . . . 0.0 109.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.2 78.87 Favored Glycine 0 N--CA 1.5 2.91 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.35 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.41 135.89 34.09 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.919 -1.342 . . . . 0.0 110.641 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.48 123.69 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.11 160.03 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 C-N-CA 117.474 -1.69 . . . . 0.0 110.702 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.91 128.42 54.91 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 120.519 -1.363 . . . . 0.0 107.571 175.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.94 121.46 60.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 176.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.26 50.72 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -179.555 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.43 47.11 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 118.498 -1.281 . . . . 0.0 109.728 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.517 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.73 6.4 Favored 'General case' 0 C--N 1.288 -2.101 0 C-N-CA 118.585 -1.246 . . . . 0.0 108.045 178.241 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.3 40.16 Favored Glycine 0 C--N 1.296 -1.664 0 C-N-CA 118.019 -2.039 . . . . 0.0 110.377 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.59 82.48 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.28 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.07 36.84 3.52 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 115.844 -2.342 . . . . 0.0 108.583 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.44 -33.51 65.93 Favored 'General case' 0 N--CA 1.521 3.095 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -174.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.429 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.66 27.52 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.575 -1.953 . . . . 0.0 110.996 -176.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.782 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.5 -40.73 97.84 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.49 77.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 117.475 -1.69 . . . . 0.0 110.018 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.83 -42.19 88.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-O 122.192 0.996 . . . . 0.0 109.323 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.87 -47.87 76.57 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.05 0.929 . . . . 0.0 108.755 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.782 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.81 -38.35 76.57 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.686 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.545 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.4 mt -75.54 -28.69 59.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.385 -1.447 . . . . 0.0 110.853 -174.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.54 -39.4 70.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.414 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.25 62.98 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.463 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.33 -45.16 84.57 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.956 -1.098 . . . . 0.0 110.548 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.33 -37.42 85.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.864 -1.147 . . . . 0.0 111.526 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.84 61.67 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.113 -0.992 . . . . 0.0 110.224 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 -32.33 46.18 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.544 -0.723 . . . . 0.0 111.377 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.02 125.42 12.07 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 124.32 2.01 . . . . 0.0 112.921 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.893 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.278 -2.543 0 CA-C-N 111.124 -2.762 . . . . 0.0 110.186 -177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.521 ' O2 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.501 ' H3 ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.19 -27.68 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.52 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.3 mt-10 -59.29 -31.74 69.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.481 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' CD1' ' H3 ' ' A' ' 1' ' ' ALA . 95.0 mt -38.37 -34.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.378 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.26 -47.26 80.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.927 0.394 . . . . 1.94 110.266 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.3 tt0 -67.44 -34.84 78.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.19 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.17 -42.71 96.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.359 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.38 -44.43 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.018 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.1 mtp -59.22 -41.85 89.64 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.532 -0.544 . . . . 1.04 109.532 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.02 -42.41 98.21 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.8 mt -63.56 -42.15 98.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.172 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.476 HG12 ' HD1' ' A' ' 80' ' ' HIS . 96.8 mt -63.11 -44.94 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 1.05 109.811 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.86 -44.45 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 1.02 109.954 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -60.5 -46.36 90.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.851 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.4 m -59.59 -43.81 93.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.967 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.558 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.38 -42.2 99.18 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.01 -42.41 99.82 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -49.13 78.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.883 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -60.2 -45.98 91.3 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -55.1 -44.79 75.23 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.84 -42.57 99.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.728 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.68 -50.92 72.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.4 -42.48 91.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.578 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.58 90.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.715 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.48 86.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.662 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.28 -44.88 96.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.463 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.31 -42.68 74.02 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.0 -41.79 92.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.756 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.58 91.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.644 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.29 -30.04 70.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.171 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -80.11 -3.51 49.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.46 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.95 12.22 81.48 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -94.89 81.95 3.81 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.754 0.311 . . . . 0.0 110.306 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -64.65 -34.62 78.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.665 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.77 86.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.025 0.441 . . . . 0.0 110.739 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.77 81.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.301 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.05 -47.99 80.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.559 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.51 -43.06 99.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.612 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.44 98.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mmm -66.28 -42.06 88.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.476 ' O ' ' OG ' ' A' ' 44' ' ' SER . 74.1 mtm -63.87 -41.55 97.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.611 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.86 -46.32 89.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.02 0.438 . . . . 0.0 110.499 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.43 -40.87 98.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.126 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 41' ' ' MET . 79.4 p -61.28 -46.15 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.508 ' CZ ' ' NH1' ' A' ' 88' ' ' ARG . 62.9 ttm-85 -60.36 -42.61 96.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.296 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.2 mmm -61.48 -42.79 99.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.194 0.521 . . . . 0.0 110.56 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.73 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.18 -39.83 93.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.09 -42.02 97.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.318 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.58 -39.75 91.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.216 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.12 -44.04 80.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.401 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.16 -37.86 88.91 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.046 -0.525 . . . . 0.13 110.38 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.37 -43.76 98.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.29 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.47 -43.31 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.687 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.37 -42.77 96.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -58.61 -41.74 86.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 1.03 110.062 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.2 -38.81 92.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.943 0.402 . . . . 0.0 110.544 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.97 -26.98 68.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.634 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.439 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 96.7 mt -83.66 -30.36 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.072 -0.513 . . . . 1.01 110.882 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -86.34 -13.45 46.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.458 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.68 67.68 0.55 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -79.37 169.03 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.25 143.09 58.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.497 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.04 -80.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -61.07 127.4 31.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.88 0.371 . . . . 0.0 110.643 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.06 20.16 65.67 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -62.03 135.18 57.42 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.763 0.316 . . . . 0.0 110.425 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.7 mtt -147.98 -164.72 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.666 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -91.58 -52.91 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.1 m -112.53 132.38 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.684 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.628 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 4.2 p -118.72 154.62 32.46 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.17 -48.8 75.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.616 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.85 -45.23 99.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.852 0.358 . . . . 0.0 110.521 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.687 ' CD2' HE22 ' A' ' 55' ' ' GLN . 77.8 mt -62.23 -40.52 96.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.077 0.465 . . . . 1.03 110.897 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.68 -48.35 89.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.747 -0.661 . . . . 1.12 110.149 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.69 -46.49 88.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.777 0.322 . . . . 0.0 110.34 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.65 99.51 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.759 0.314 . . . . 1.01 110.635 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -62.75 -39.2 93.41 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.89 110.199 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 tp -56.89 -46.26 82.03 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.372 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.524 ' CE1' ' O2 ' ' D' ' 200' ' ' PO3 . 63.3 m170 -67.16 -47.23 71.64 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.678 -0.409 . . . . 0.13 110.725 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.27 -44.98 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.841 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -62.03 -43.17 99.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.214 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.1 p -64.59 -46.47 82.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.1 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -62.58 -49.04 76.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.1 ttp -57.95 -48.04 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.552 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.99 -45.26 94.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.117 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -47.76 84.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.843 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.508 ' NH1' ' CZ ' ' A' ' 45' ' ' ARG . 9.0 tmm_? -58.23 -45.96 86.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.065 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.503 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.8 mt-10 -61.4 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.122 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.38 -42.53 96.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.14 0.495 . . . . 0.0 109.84 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -60.85 -42.46 92.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.292 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.8 m -57.99 -46.18 85.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.012 0.434 . . . . 0.0 109.914 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.37 -43.22 98.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.563 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 18.1 mt -59.25 -43.05 92.46 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.404 HG21 HD12 ' A' ' 95' ' ' ILE . 88.8 mt -61.3 -42.46 93.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.559 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -62.54 -39.29 93.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.14 -41.63 98.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.83 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.5 m80 -60.82 -38.99 87.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.457 ' O ' ' O ' ' A' ' 102' ' ' LYS . 84.0 tt0 -62.18 -39.12 91.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.193 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.31 -38.66 90.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.198 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.02 -41.24 97.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.426 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 99' ' ' GLU . 68.6 mttm -92.8 140.38 29.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.489 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.573 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.485 ' H3 ' ' CD1' ' B' ' 4' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.18 -27.44 68.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.5 mt-10 -59.32 -31.54 69.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.492 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.485 ' CD1' ' H3 ' ' B' ' 1' ' ' ALA . 95.7 mt -38.72 -34.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -64.45 -47.33 79.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.967 0.413 . . . . 1.94 110.335 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.7 tt0 -67.06 -34.95 78.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.32 -42.58 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.38 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.64 -44.43 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.88 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.3 mtp -59.14 -41.56 88.59 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.561 -0.533 . . . . 1.05 109.561 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.59 97.61 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.0 mt -63.35 -42.16 98.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.813 0.34 . . . . 0.0 110.347 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.448 HG12 ' HD1' ' B' ' 80' ' ' HIS . 95.9 mt -63.17 -44.98 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.933 -0.576 . . . . 1.08 109.751 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.8 -44.43 98.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.993 -0.548 . . . . 1.02 109.884 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -60.61 -46.19 91.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.763 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 51.2 m -59.62 -43.82 93.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.124 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.52 -41.82 99.11 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.2 -42.38 99.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.21 78.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.88 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -60.04 -45.8 91.61 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -55.44 -44.72 76.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.72 -42.53 99.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.709 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.55 73.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.503 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.66 -42.11 92.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.685 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.76 91.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.661 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.68 86.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.628 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.31 -44.91 96.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.302 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.33 -42.7 74.12 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -60.21 -41.36 92.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.868 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.68 92.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.703 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.13 -30.24 70.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.01 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -80.08 -3.32 48.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.8 12.11 81.86 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -94.77 82.07 3.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.844 0.354 . . . . 0.0 110.339 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -64.76 -34.91 79.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.594 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.21 -46.66 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.032 0.444 . . . . 0.0 110.78 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.51 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.45 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.05 79.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.494 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.41 -43.33 99.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.559 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.19 -42.52 99.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mmm -66.31 -42.11 88.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.472 ' O ' ' OG ' ' B' ' 44' ' ' SER . 73.9 mtm -63.72 -41.58 98.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.59 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -61.99 -46.29 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.13 -41.02 99.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.341 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' B' ' 41' ' ' MET . 79.0 p -61.16 -46.09 91.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.471 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.526 ' CZ ' ' NH1' ' B' ' 88' ' ' ARG . 62.8 ttm-85 -60.72 -42.15 96.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.279 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.66 -42.85 99.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.244 0.545 . . . . 0.0 110.612 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.38 99.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.175 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.61 -39.53 91.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.751 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -61.34 -41.84 97.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.364 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.9 -39.43 90.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.169 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -44.17 80.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.441 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.23 -37.9 89.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.13 110.381 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.33 -43.65 98.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.48 -43.25 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.076 0.465 . . . . 0.0 110.019 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.676 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.49 -42.54 96.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -58.87 -41.89 88.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 1.03 109.961 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -39.12 93.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.404 . . . . 0.0 110.554 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.72 -27.11 68.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.711 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.455 ' CD1' ' OE1' ' B' ' 55' ' ' GLN . 96.7 mt -83.42 -30.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.067 -0.515 . . . . 1.01 110.805 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -86.41 -13.78 45.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.49 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.09 67.79 0.54 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -79.7 169.09 18.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.514 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.37 143.29 57.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.21 -81.1 0.06 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.09 127.34 31.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 0.0 110.578 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.22 20.59 64.39 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -62.27 135.37 57.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.616 0.246 . . . . 0.0 110.464 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 65.5 mtt -148.27 -164.98 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.653 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -91.8 -52.52 4.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.4 m -113.1 132.06 63.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.802 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.614 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 7.0 p -118.17 157.43 26.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.534 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.36 -48.21 82.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.605 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.33 -45.06 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.594 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.676 ' CD2' HE22 ' B' ' 55' ' ' GLN . 76.6 mt -62.12 -40.75 96.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.169 0.509 . . . . 1.03 110.969 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.31 -47.98 90.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.755 -0.657 . . . . 1.12 110.264 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.447 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 61.4 t60 -59.03 -47.25 85.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.886 -0.326 . . . . 2.11 110.309 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.62 99.59 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.916 0.389 . . . . 1.01 110.461 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' C' ' 76' ' ' HIS . 52.3 tt0 -62.59 -39.24 93.11 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.89 110.229 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 tp -57.03 -45.94 82.74 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.393 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.448 ' HD1' HG12 ' B' ' 12' ' ' ILE . 63.4 m170 -67.54 -46.89 71.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.322 -0.399 . . . . 0.14 110.69 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.46 -45.15 95.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.859 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -61.81 -43.48 98.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.248 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.6 p -64.3 -46.45 83.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.108 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -62.66 -48.86 77.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -58.19 -47.9 81.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.484 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.94 -45.38 93.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.59 84.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.905 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.526 ' NH1' ' CZ ' ' B' ' 45' ' ' ARG . 8.9 tmm_? -58.52 -45.55 88.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.258 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.508 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.4 mt-10 -61.66 -42.98 99.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.165 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.73 -42.33 95.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.076 0.465 . . . . 0.0 109.966 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.1 mt -61.08 -42.55 93.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.159 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.0 m -57.87 -46.22 85.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.009 0.433 . . . . 0.0 109.888 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.37 -43.14 98.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.506 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.565 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 18.5 mt -59.32 -43.09 92.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.47 -42.54 94.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.507 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -62.33 -39.25 92.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.17 -41.58 98.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.916 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 68.6 m80 -60.84 -38.97 87.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.754 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' B' ' 102' ' ' LYS . 84.6 tt0 -62.26 -39.31 92.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.108 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.02 -39.12 92.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.177 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.43 -41.8 98.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.377 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' B' ' 99' ' ' GLU . 68.5 mttm -92.69 140.42 29.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.6 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.511 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.498 ' H3 ' ' CD1' ' C' ' 4' ' ' LEU . . . . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.37 -27.66 68.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.62 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.8 mt-10 -59.22 -31.41 69.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.343 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.498 ' CD1' ' H3 ' ' C' ' 1' ' ' ALA . 95.6 mt -38.66 -34.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.423 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -64.46 -47.22 79.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 1.94 110.328 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' C' ' 3' ' ' GLU . 81.6 tt0 -67.42 -34.62 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.314 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.54 -42.12 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.429 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.12 -44.51 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.002 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.2 mtp -58.99 -42.02 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.555 -0.535 . . . . 1.05 109.555 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -42.77 98.52 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.19 -42.3 99.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.911 0.386 . . . . 0.0 110.401 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.454 HG12 ' HD1' ' C' ' 80' ' ' HIS . 96.2 mt -63.0 -44.88 99.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 1.09 109.67 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.413 HD11 HG21 ' C' ' 13' ' ' ILE . 93.5 mt -63.81 -44.25 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.055 -0.52 . . . . 1.02 109.993 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -60.87 -46.3 91.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.813 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 51.7 m -59.45 -43.69 93.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.227 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.04 98.88 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.21 -42.24 99.26 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.32 78.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.764 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -60.08 -46.08 90.75 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -55.13 -44.96 75.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.46 -42.72 99.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.69 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.93 72.19 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.508 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.0 m-85 -59.36 -42.52 91.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.52 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.7 90.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.51 85.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.627 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.42 -44.92 96.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.338 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.34 -42.7 74.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.1 -41.51 92.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.878 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.92 91.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.839 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.13 -30.17 70.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.097 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -79.83 -3.76 49.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.428 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.1 12.04 81.54 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -94.56 82.43 3.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.792 0.33 . . . . 0.0 110.293 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -65.27 -34.47 78.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.518 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.38 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.064 0.459 . . . . 0.0 110.753 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.53 80.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.345 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.28 -48.06 79.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.527 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.3 -43.4 98.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.583 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.67 99.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.78 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.8 mmm -66.06 -42.06 89.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.483 ' O ' ' OG ' ' C' ' 44' ' ' SER . 73.6 mtm -63.9 -41.65 97.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.646 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.81 -46.4 89.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.476 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.09 -41.11 99.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.286 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' SER . . . . . 0.483 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.2 p -61.0 -46.2 91.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.476 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.517 ' CZ ' ' NH1' ' C' ' 88' ' ' ARG . 63.0 ttm-85 -60.57 -42.23 96.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.334 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.66 -42.81 99.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.323 0.582 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.39 99.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.362 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.65 -39.44 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.726 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.77 -41.5 97.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.315 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.92 -39.66 90.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.024 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -44.63 79.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.37 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.407 ' CD2' ' HA ' ' D' ' 312' ' ' ASN . 82.1 t60 -62.58 -37.82 87.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.14 110.305 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -61.54 -43.56 98.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.808 0.337 . . . . 0.0 110.328 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.39 -43.44 94.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.996 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.696 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -60.39 -42.81 96.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.226 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.3 m -58.63 -41.92 87.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 1.03 110.159 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.98 -39.03 93.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.522 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.77 -26.97 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.822 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.447 ' CD1' ' OE1' ' C' ' 55' ' ' GLN . 96.7 mt -83.51 -30.23 7.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 1.01 110.819 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.539 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.3 mm-40 -86.61 -13.59 45.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.23 67.53 0.55 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -79.33 169.29 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.561 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.61 143.39 57.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.37 -80.98 0.06 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.04 127.52 31.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.56 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 20.65 64.74 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -62.08 135.2 57.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.635 0.255 . . . . 0.0 110.497 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 65.3 mtt -148.33 -164.84 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.04 -52.17 4.84 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 15.2 m -113.35 132.07 63.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.704 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.607 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 7.3 p -117.66 159.41 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.544 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.02 -48.38 81.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.728 -177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.87 -45.15 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 130.108 3.363 . . . . 0.0 110.627 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.696 ' CD2' HE22 ' C' ' 55' ' ' GLN . 78.0 mt -64.29 -40.26 95.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.13 0.491 . . . . 1.03 110.933 177.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.84 -48.43 88.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.788 -0.642 . . . . 1.13 110.165 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.435 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 61.9 t60 -59.04 -47.39 85.38 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.926 -0.31 . . . . 1.96 110.362 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.34 99.58 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.841 0.353 . . . . 1.01 110.423 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.55 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 52.1 tt0 -62.79 -39.21 93.51 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.198 -0.455 . . . . 1.89 110.204 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.86 -46.41 81.79 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.551 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.454 ' HD1' HG12 ' C' ' 12' ' ' ILE . 63.2 m170 -66.98 -47.34 71.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.405 . . . . 0.13 110.761 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.07 -45.29 95.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.845 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.68 -43.43 98.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.355 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -64.32 -46.62 82.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.241 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.8 t -62.46 -48.56 79.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -58.47 -47.91 82.51 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.503 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.87 -45.08 95.32 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.181 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.87 83.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.869 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.517 ' NH1' ' CZ ' ' C' ' 45' ' ' ARG . 8.9 tmm_? -58.25 -45.7 87.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.238 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.27 -43.52 98.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.197 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.4 -42.45 96.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 109.949 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.83 -42.45 92.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.351 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.5 m -58.24 -45.61 87.43 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.586 -0.445 . . . . 0.0 109.966 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.94 -43.0 97.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.508 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 18.7 mt -59.25 -43.06 92.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.38 -42.66 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.588 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.2 -39.16 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.31 -41.55 98.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.863 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.7 m80 -60.86 -39.21 88.26 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.8 tt0 -61.97 -39.53 92.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.077 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.87 -39.06 92.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.235 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.53 -41.7 98.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.305 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' C' ' 99' ' ' GLU . 68.5 mttm -92.73 140.22 29.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.557 179.838 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.518 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 121.913 0.863 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.8 143.0 36.66 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.495 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.01 156.27 38.51 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.073 -1.017 . . . . 0.0 109.576 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.08 149.24 28.6 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.26 152.37 18.93 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.03 -1.044 . . . . 0.0 108.407 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.91 144.37 19.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.3 m -96.66 136.63 36.92 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 122.085 0.945 . . . . 0.0 110.116 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.94 114.32 24.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.9 -4.3 19.31 Favored 'General case' 0 C--N 1.264 -3.115 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.889 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.84 85.88 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 119.718 -1.864 . . . . 0.0 110.593 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.51 -47.64 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 124.652 3.568 . . . . 0.0 114.198 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.407 ' HA ' ' CD2' ' C' ' 52' ' ' HIS . 99.4 m-20 -102.15 27.57 6.55 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 116.061 -2.256 . . . . 0.0 108.763 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.44 -121.42 15.24 Favored Glycine 0 N--CA 1.495 2.607 0 C-N-CA 117.729 -2.176 . . . . 0.0 109.637 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.3 tp -135.06 75.48 1.57 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.995 -1.297 . . . . 0.0 109.517 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.409 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.4 OUTLIER -83.47 175.64 9.66 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 117.879 -1.529 . . . . 0.0 112.161 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.612 ' HG1' ' H ' ' D' ' 317' ' ' ARG . 4.7 p -21.8 -71.31 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 -176.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.612 ' H ' ' HG1' ' D' ' 316' ' ' THR . 14.7 ttt-85 -43.37 -66.63 0.42 Allowed Pre-proline 0 N--CA 1.493 1.676 0 C-N-CA 120.211 -0.596 . . . . 0.0 112.483 -177.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 21.0 Cg_endo -64.52 -32.24 59.56 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.394 1.396 . . . . 0.0 111.516 177.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.84 86.78 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.227 -0.921 . . . . 0.0 109.473 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.76 72.55 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.96 -39.4 94.06 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 117.993 -1.483 . . . . 0.0 109.48 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.54 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.71 -45.24 93.67 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 122.559 1.171 . . . . 0.0 108.726 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.67 -42.28 95.45 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.25 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.631 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -63.9 -40.25 96.07 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 109.768 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.83 -39.63 79.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.486 -0.759 . . . . 0.0 109.589 177.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.95 92.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.607 -1.308 . . . . 0.0 109.403 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.3 -16.24 43.78 Favored 'General case' 0 N--CA 1.51 2.571 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.53 86.15 Favored Glycine 0 N--CA 1.478 1.462 0 O-C-N 119.881 -1.762 . . . . 0.0 109.284 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.416 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 93.0 m-85 -103.55 143.41 32.77 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.251 -1.735 . . . . 0.0 109.963 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.9 p -75.6 -30.08 59.46 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.25 -0.906 . . . . 0.0 112.338 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.64 9.99 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 119.88 -1.762 . . . . 0.0 112.787 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.04 130.31 35.38 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 171.225 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.76 136.62 60.26 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.391 0 CA-C-O 122.252 1.025 . . . . 0.0 109.238 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.416 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.8 m -124.94 143.2 51.0 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-O 123.067 1.413 . . . . 0.0 109.969 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.416 ' N ' HG23 ' D' ' 334' ' ' THR . 85.6 t -108.17 129.96 61.55 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.723 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 173.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.4 m -127.46 119.6 26.48 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.776 -1.202 . . . . 0.0 108.953 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.59 122.58 39.18 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.568 -0.708 . . . . 0.0 109.864 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.79 38.89 24.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.828 -1.17 . . . . 0.0 112.754 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.08 83.46 Favored Glycine 0 N--CA 1.502 3.094 0 O-C-N 119.97 -1.706 . . . . 0.0 112.502 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.87 136.24 54.57 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.8 158.49 33.24 Favored 'General case' 0 C--N 1.275 -2.637 0 CA-C-O 123.76 1.743 . . . . 0.0 112.429 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.6 151.4 31.48 Favored 'General case' 0 C--N 1.278 -2.516 0 CA-C-N 112.477 -2.147 . . . . 0.0 108.598 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.644 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.59 135.93 48.83 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.99 -6.72 47.32 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.711 -1.243 . . . . 0.0 110.709 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.644 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.53 12.99 31.54 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.652 -1.28 . . . . 0.0 109.356 -177.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 90.6 p -133.12 104.16 6.37 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.171 0.986 . . . . 0.0 110.118 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.22 -37.89 72.91 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.011 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -58.91 -51.3 70.61 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.604 -1.31 . . . . 0.0 113.085 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -70.17 -32.37 70.29 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 119.614 -1.929 . . . . 0.0 109.197 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.81 -33.76 75.88 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.923 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.539 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.63 -10.44 52.23 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.698 -0.626 . . . . 0.0 109.963 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 43.0 p -89.82 -7.73 53.67 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 118.061 -1.456 . . . . 0.0 110.885 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.31 159.31 15.32 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.236 -0.915 . . . . 0.0 110.129 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.8 2.96 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 106.873 -2.491 . . . . 0.0 106.873 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.5 47.31 1.73 Allowed 'General case' 0 C--N 1.309 -1.178 0 O-C-N 120.711 -1.464 . . . . 0.0 107.454 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.7 p -81.36 172.51 13.48 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 118.816 -1.153 . . . . 0.0 109.251 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.64 140.84 57.29 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.828 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.24 78.82 Favored Glycine 0 N--CA 1.5 2.935 0 C-N-CA 120.068 -1.063 . . . . 0.0 111.36 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.4 135.88 34.09 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.906 -1.349 . . . . 0.0 110.635 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.48 123.74 48.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.23 160.09 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.598 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.91 128.4 54.89 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.509 -1.37 . . . . 0.0 107.545 175.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.87 121.43 60.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.66 147.22 50.73 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 118.524 -1.27 . . . . 0.0 109.758 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.518 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.28 110.73 6.37 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 118.566 -1.254 . . . . 0.0 108.05 178.195 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.2 40.13 Favored Glycine 0 C--N 1.296 -1.663 0 C-N-CA 118.018 -2.039 . . . . 0.0 110.434 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.42 -40.62 82.97 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 114.474 -0.863 . . . . 0.0 112.167 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.04 36.76 3.56 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 115.919 -2.312 . . . . 0.0 108.537 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.36 -33.59 65.82 Favored 'General case' 0 N--CA 1.522 3.175 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.403 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.64 27.64 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 119.629 -1.919 . . . . 0.0 110.975 -176.51 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.777 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.71 97.77 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.52 77.55 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.477 -1.689 . . . . 0.0 109.985 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.75 -42.27 89.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-O 122.275 1.036 . . . . 0.0 109.257 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.95 -47.83 76.88 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-O 121.993 0.901 . . . . 0.0 108.697 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.777 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.83 -38.25 76.46 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.751 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.54 HD22 ' CE1' ' D' ' 322' ' ' PHE . 79.8 mt -75.67 -28.59 58.77 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.329 -1.482 . . . . 0.0 110.854 -174.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.56 -39.35 70.11 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.423 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -68.02 -49.2 62.95 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.25 84.28 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.496 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.31 85.27 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.874 -1.141 . . . . 0.0 111.548 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.81 61.59 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.103 -0.998 . . . . 0.0 110.289 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.28 45.83 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.565 -0.709 . . . . 0.0 111.358 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 125.54 12.39 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 124.314 2.007 . . . . 0.0 112.868 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.889 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 96.1 mt-10 . . . . . 0 C--N 1.278 -2.529 0 CA-C-N 111.116 -2.765 . . . . 0.0 110.116 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.55 ' O1 ' ' NE2' ' C' ' 78' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.94 -36.37 72.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' GLU . 83.7 tt0 -58.5 -76.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.477 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 3' ' ' GLU . 94.3 mt -37.87 -38.45 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.88 -46.77 80.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.909 0.385 . . . . 1.94 110.281 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.8 tt0 -68.15 -36.63 79.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.276 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.22 -42.55 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.411 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.73 -43.75 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.963 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.6 mtp -59.01 -41.75 88.48 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.559 -0.534 . . . . 1.04 109.559 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.48 -41.25 98.05 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.85 -43.16 99.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.145 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.76 -44.41 99.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.057 -0.52 . . . . 1.05 109.738 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.441 HD11 HG22 ' A' ' 13' ' ' ILE . 90.0 mt -63.78 -44.64 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 1.02 109.992 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.74 -46.93 88.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.782 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -59.64 -43.74 93.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.972 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.26 99.71 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.4 mm-40 -64.13 -42.36 96.86 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.82 76.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.837 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.44 -46.95 88.2 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.512 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.1 p -54.82 -44.18 73.63 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.6 -42.43 98.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.708 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.2 70.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.46 -42.5 92.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.605 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.98 92.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.809 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.89 89.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.683 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.24 -45.13 95.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.476 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -56.09 -41.87 75.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.02 -42.09 97.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.783 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.9 93.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.8 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.59 -29.44 70.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.103 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -80.59 -4.43 54.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.519 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 14.6 69.92 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.21 79.43 2.56 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.797 0.332 . . . . 0.0 110.266 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -64.63 -34.52 78.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.696 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -48.16 80.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.026 0.441 . . . . 0.0 110.803 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.81 82.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.416 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.89 81.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.35 -42.18 99.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.649 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.1 98.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.772 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.5 mmm -65.11 -40.19 94.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.487 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.445 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 91.8 mtp -63.25 -41.23 99.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.587 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.41 -44.64 96.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 0.0 110.521 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -63.32 -41.77 98.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.243 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.2 m -60.36 -46.54 89.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.523 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -60.22 -42.78 95.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.237 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.4 ttp -60.74 -43.97 97.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.197 0.522 . . . . 0.0 110.553 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.68 97.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.148 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.55 -40.54 92.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.639 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.06 -42.57 98.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.176 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.26 -40.02 93.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.205 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -45.66 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.45 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -61.05 -39.48 89.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.058 -0.519 . . . . 0.13 110.443 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.6 mt -60.34 -44.4 95.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.313 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.21 -42.87 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.066 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.405 HE21 HD22 ' A' ' 74' ' ' LEU . 68.1 tp60 -60.39 -43.63 96.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.248 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 92.5 m -57.03 -43.36 81.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 1.03 110.019 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.87 -39.37 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.599 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.65 -30.31 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.67 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.404 HD12 HG21 ' A' ' 59' ' ' ILE . 96.5 mt -85.5 -32.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 1.01 110.775 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -84.89 -6.65 59.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.49 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.27 115.0 0.64 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.583 ' CG ' ' H ' ' A' ' 63' ' ' ALA . 67.3 t0 -158.09 -124.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.673 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.583 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . -65.47 145.3 56.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.49 -76.47 1.33 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.13 124.39 22.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 110.69 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.15 28.78 73.22 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -54.57 124.28 15.75 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.648 0.261 . . . . 0.0 110.492 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -107.27 137.48 45.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.567 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.97 -44.5 96.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 m -110.52 129.56 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.724 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.58 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 83.9 p -131.51 164.74 25.13 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 115.23 1.566 . . . . 0.0 115.23 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.4 mt -57.74 -46.14 84.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.64 -48.08 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.547 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.58 ' H ' ' HG ' ' A' ' 71' ' ' SER . 85.2 mt -63.94 -42.32 97.36 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.983 0.42 . . . . 1.03 110.875 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.3 t -60.8 -47.74 91.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.806 -0.634 . . . . 1.12 110.155 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -59.03 -46.48 88.11 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.325 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.06 -43.28 95.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.496 -0.32 . . . . 1.01 110.667 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.34 -40.3 95.92 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.89 110.145 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 tp -56.97 -46.5 82.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.404 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CE1' ' O3 ' ' D' ' 200' ' ' PO3 . 86.7 m-70 -67.52 -47.14 70.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.328 -0.396 . . . . 0.13 110.722 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.32 -46.2 91.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.53 -43.43 98.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.224 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 25.4 p -62.64 -44.85 95.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.073 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.3 m -62.29 -48.22 80.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.424 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -58.13 -47.83 82.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.515 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.56 -44.32 97.24 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.055 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.97 80.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.784 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -58.92 -45.02 91.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.092 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -60.85 -43.9 97.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.108 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -64.48 -41.93 96.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.095 0.474 . . . . 0.0 109.86 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.14 -41.31 86.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.297 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.9 m -57.26 -45.71 83.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.45 . . . . 0.0 109.902 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.23 -43.73 97.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.549 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 87.4 mt -59.98 -43.66 94.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.445 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 91.2 mt -61.76 -43.32 97.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.518 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.49 -40.11 90.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.61 -41.67 99.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.878 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 63.7 m80 -59.16 -40.5 85.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.63 -39.88 92.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.138 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.72 -37.37 87.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.41 135.16 49.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.393 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 55.94 14.84 1.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.579 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.554 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -57.52 -36.4 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' B' ' 6' ' ' GLU . 84.2 tt0 -58.41 -76.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' B' ' 3' ' ' GLU . 94.5 mt -37.89 -38.02 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -65.17 -46.98 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.97 0.414 . . . . 1.94 110.319 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.1 tt0 -67.61 -36.75 81.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.198 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.42 -42.51 96.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.376 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.89 -43.59 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.866 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.5 mtp -59.19 -41.62 88.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.535 -0.542 . . . . 1.05 109.535 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -41.33 97.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.62 -43.3 99.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.383 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.99 -44.1 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.952 -0.567 . . . . 1.08 109.729 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.416 HG22 HD11 ' B' ' 13' ' ' ILE . 90.0 mt -63.82 -44.12 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 1.02 109.922 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.68 -45.9 92.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -60.51 -43.29 97.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.116 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.18 -42.38 99.42 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.508 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.6 mm-40 -63.9 -42.65 97.38 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.91 -49.63 77.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.937 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -60.49 -47.02 87.97 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.508 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 77.9 p -54.86 -44.41 73.98 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.29 -42.58 99.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.714 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.18 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.498 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.4 -42.44 91.76 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.642 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.02 92.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.675 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.7 89.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.657 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.35 -45.5 94.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.308 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.94 -41.75 75.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.17 -42.04 97.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.944 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.61 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.695 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.0 -29.56 69.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.035 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.83 -4.29 54.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.297 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.75 14.26 70.61 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -97.87 79.54 2.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.346 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.94 -34.41 78.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.606 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.56 79.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.036 0.446 . . . . 0.0 110.798 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.77 81.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.415 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.4 -47.97 81.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.571 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.32 -42.45 99.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.613 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.11 99.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.752 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.7 mmm -65.25 -40.28 93.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.558 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.453 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 91.7 mtp -62.92 -41.44 99.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.547 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -61.21 -45.15 95.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.93 -41.56 99.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -60.67 -46.37 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.486 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -60.36 -42.7 96.34 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.249 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -60.53 -44.34 96.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.299 0.571 . . . . 0.0 110.636 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.63 98.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.203 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.62 -40.78 92.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.737 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.79 -42.42 97.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.335 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.49 -39.87 92.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.204 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -45.62 76.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.515 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -61.38 -39.25 89.97 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.13 110.292 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -60.5 -44.07 96.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.407 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.59 -43.3 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.09 0.472 . . . . 0.0 109.965 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -59.78 -43.8 94.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.252 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -56.93 -43.64 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 1.03 110.056 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.55 -39.84 94.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.938 0.399 . . . . 0.0 110.554 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.09 -30.76 71.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.4 mt -84.8 -32.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.103 -0.499 . . . . 1.01 110.787 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -84.56 -6.76 59.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.2 114.6 0.62 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.577 ' CG ' ' H ' ' B' ' 63' ' ' ALA . 66.9 t0 -157.91 -123.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.334 . . . . 0.0 110.618 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.577 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . -65.92 145.27 56.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.484 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.13 -77.0 1.34 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.91 125.06 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.601 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.57 28.99 73.58 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -54.55 125.0 17.94 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.595 0.236 . . . . 0.0 110.478 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -108.16 138.07 45.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.654 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.73 -43.57 98.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 m -111.76 129.51 67.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.714 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.574 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 88.1 p -131.41 166.19 21.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.562 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 mt -59.68 -46.12 90.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.638 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.63 -47.47 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.54 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.574 ' H ' ' HG ' ' B' ' 71' ' ' SER . 85.5 mt -64.39 -42.05 96.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.069 0.461 . . . . 1.03 110.991 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 52.8 t -60.89 -47.02 95.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.862 -0.608 . . . . 1.12 110.288 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.596 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.1 t-80 -59.65 -46.64 88.42 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.854 -0.338 . . . . 2.11 110.299 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.88 97.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.828 0.346 . . . . 1.01 110.389 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.53 -40.62 97.36 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.209 -0.451 . . . . 1.89 110.244 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 40.2 tp -56.82 -46.28 81.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.596 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 87.2 m-70 -67.77 -47.08 70.2 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.728 -0.389 . . . . 0.14 110.72 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.34 -46.67 89.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -60.86 -43.93 97.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.257 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 25.1 p -62.27 -45.12 94.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.116 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 71.8 m -61.81 -48.36 80.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -58.09 -47.93 81.71 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.503 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.44 -44.14 97.64 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.082 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.7 81.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.846 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -59.09 -44.92 91.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.187 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.494 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.0 mt-10 -60.91 -43.9 97.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.175 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.47 -41.69 96.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.052 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 76.2 mt -60.29 -41.45 87.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.278 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 68.2 m -57.13 -45.49 83.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.098 0.475 . . . . 0.0 109.868 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.61 -43.63 96.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.548 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.563 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.9 mt -59.88 -43.62 94.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.453 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.5 mt -62.06 -43.0 97.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.51 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.75 -40.33 92.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.52 -41.27 98.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.83 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.5 m80 -59.34 -40.6 86.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.53 -39.9 92.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.063 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.92 -37.18 86.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.207 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.4 135.24 50.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.373 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 55.89 14.89 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.507 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -57.85 -36.39 72.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.589 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' C' ' 6' ' ' GLU . 84.3 tt0 -58.23 -76.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.352 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' C' ' 3' ' ' GLU . 94.2 mt -37.72 -38.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.356 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -65.18 -46.57 80.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 1.94 110.373 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' C' ' 3' ' ' GLU . 81.5 tt0 -67.97 -36.61 80.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.288 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.43 -42.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.315 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.97 -43.53 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.991 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mtp -59.27 -41.42 88.84 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.591 -0.522 . . . . 1.05 109.591 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.59 -41.5 97.8 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.85 -43.0 99.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.92 -44.38 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.549 . . . . 1.09 109.78 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.73 -44.31 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.038 -0.528 . . . . 1.02 110.001 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.1 -46.5 90.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.872 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -60.13 -43.34 95.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.225 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.9 99.32 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . 0.498 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -64.37 -42.39 96.19 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.52 77.51 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -60.59 -47.0 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.498 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.8 p -55.03 -44.01 74.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.53 -42.4 98.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.744 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.04 -50.77 72.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.494 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.2 m-85 -59.72 -42.57 93.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.547 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.79 92.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.746 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.77 89.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.578 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.51 -45.31 94.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.398 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -56.0 -41.68 75.25 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.37 -41.81 97.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.907 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.13 93.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.858 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.62 -29.4 70.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.081 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.57 -4.35 53.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.426 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.81 14.34 70.25 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.2 79.4 2.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.8 0.333 . . . . 0.0 110.231 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.57 -34.68 78.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.518 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.92 81.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.982 0.42 . . . . 0.0 110.628 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.46 80.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.395 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.89 80.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.429 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.13 -42.44 99.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.597 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.26 99.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.729 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.3 mmm -65.34 -40.37 93.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.54 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.449 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 91.9 mtp -62.82 -41.42 99.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.36 -45.19 95.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 0.0 110.384 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.95 -41.45 99.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.311 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m -60.76 -46.24 91.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.545 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.45 -42.79 96.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.329 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.7 ttp -60.47 -44.45 95.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.342 0.591 . . . . 0.0 110.54 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.66 97.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.305 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.65 -41.05 96.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.688 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.75 -42.88 98.26 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.305 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -64.9 -40.13 94.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.991 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.8 76.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.396 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.569 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.2 t-80 -61.49 -39.0 89.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.14 110.301 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.53 -44.01 96.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.267 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.57 -43.16 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.105 0.478 . . . . 0.0 109.99 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.414 HE21 HD22 ' C' ' 74' ' ' LEU . 68.1 tp60 -60.05 -43.71 95.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.182 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 94.1 m -57.05 -43.42 81.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.375 -0.375 . . . . 1.03 110.093 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.97 -39.2 93.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.491 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.58 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.728 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.422 HG21 HD12 ' C' ' 59' ' ' ILE . 96.5 mt -85.22 -32.57 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.999 -0.546 . . . . 1.01 110.748 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.583 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 80.0 mm-40 -84.73 -6.34 59.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.437 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.43 114.92 0.63 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.576 ' CG ' ' H ' ' C' ' 63' ' ' ALA . 67.4 t0 -158.41 -123.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 110.429 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.576 ' H ' ' CG ' ' C' ' 62' ' ' ASP . . . -66.11 145.16 56.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.473 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.14 -76.9 1.33 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.77 125.22 24.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.31 . . . . 0.0 110.584 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.4 28.81 73.68 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -54.37 124.85 17.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.613 0.244 . . . . 0.0 110.548 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -108.25 138.06 45.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.46 ' NZ ' ' CB ' ' D' ' 351' ' ' GLN . 68.5 mttm -62.53 -43.84 97.81 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 m -111.39 128.93 67.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.75 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.581 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 87.8 p -130.19 168.24 17.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.33 -44.5 97.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.722 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 68.5 t -66.73 -47.97 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 130.109 3.364 . . . . 0.0 110.572 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.581 ' H ' ' HG ' ' C' ' 71' ' ' SER . 85.7 mt -66.36 -41.64 89.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 1.03 111.004 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.26 -47.7 92.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.883 -0.599 . . . . 1.13 110.242 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.588 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.1 t-80 -59.5 -46.64 88.24 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.876 -0.33 . . . . 1.96 110.241 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.79 96.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.941 0.4 . . . . 1.01 110.458 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.607 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 52.2 tt0 -62.68 -40.51 97.33 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.89 110.249 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 39.2 tp -56.65 -46.49 81.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.498 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.588 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 87.1 m-70 -67.68 -47.16 70.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.13 110.755 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.32 -46.29 90.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.797 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.38 -43.49 98.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.393 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 26.4 p -62.44 -45.19 94.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.147 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 70.1 m -61.93 -48.16 81.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.655 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -58.11 -48.08 81.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.56 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.29 -44.43 97.24 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.097 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.33 -48.01 80.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.918 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -58.86 -45.13 90.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.22 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.35 -44.42 95.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.157 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.2 -41.83 96.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 110.033 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.08 -41.7 87.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.363 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 69.8 m -56.79 -45.67 82.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.025 0.44 . . . . 0.0 109.992 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.47 -43.58 96.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.499 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.574 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.2 mt -59.91 -43.6 94.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.302 0.572 . . . . 0.0 109.523 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.449 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 90.8 mt -61.95 -43.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.523 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.66 -40.41 91.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.23 -41.53 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.919 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.9 m80 -59.23 -40.79 87.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.726 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.35 -39.64 91.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.095 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.04 -37.45 87.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.222 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.31 135.21 50.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 56.12 14.89 1.61 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.579 -179.897 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.516 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 121.856 0.836 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.81 142.99 36.63 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.99 156.33 38.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.974 -1.079 . . . . 0.0 109.5 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.24 28.56 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.33 18.96 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.067 -1.021 . . . . 0.0 108.347 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.81 144.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.7 136.6 37.01 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.096 0.95 . . . . 0.0 110.15 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.95 114.33 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.89 -4.32 19.3 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.901 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.86 85.85 Favored Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 119.706 -1.871 . . . . 0.0 110.594 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.48 -47.68 12.84 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 124.709 3.606 . . . . 0.0 114.178 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.569 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 97.6 m-20 -102.1 27.52 6.56 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 116.04 -2.264 . . . . 0.0 108.783 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.18 -123.96 24.51 Favored Glycine 0 N--CA 1.497 2.761 0 C-N-CA 117.627 -2.225 . . . . 0.0 109.577 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.0 tp -129.97 81.58 2.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.905 -1.35 . . . . 0.0 109.514 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -85.45 174.62 9.38 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.865 -1.534 . . . . 0.0 112.173 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.646 ' HG1' ' H ' ' D' ' 317' ' ' ARG . 69.8 p -26.41 -58.36 0.08 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -176.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.646 ' H ' ' HG1' ' D' ' 316' ' ' THR . 14.1 ttt180 -53.94 -64.72 1.61 Allowed Pre-proline 0 N--CA 1.492 1.633 0 C-N-CA 120.212 -0.595 . . . . 0.0 112.5 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.45 -32.23 60.31 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.156 1.904 . . . . 0.0 111.539 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.81 86.7 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.525 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.68 72.42 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.96 -39.37 93.99 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 117.968 -1.493 . . . . 0.0 109.442 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.537 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.72 -45.31 93.34 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 122.622 1.201 . . . . 0.0 108.702 -177.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.57 -42.27 95.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.238 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.708 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -63.91 -40.25 96.05 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.269 -0.894 . . . . 0.0 109.737 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.463 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.8 -39.72 79.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.387 -0.82 . . . . 0.0 109.564 177.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.0 91.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.659 -1.276 . . . . 0.0 109.448 178.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.28 -16.25 43.64 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.44 86.2 Favored Glycine 0 N--CA 1.479 1.509 0 O-C-N 119.885 -1.759 . . . . 0.0 109.299 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.54 143.32 32.89 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.245 -1.738 . . . . 0.0 109.996 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.59 -30.05 59.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.18 -0.95 . . . . 0.0 112.377 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.52 10.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 119.799 -1.813 . . . . 0.0 112.751 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.27 35.39 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 102.877 -3.008 . . . . 0.0 102.877 171.179 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.7 136.55 60.47 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 O-C-N 121.125 -0.985 . . . . 0.0 109.314 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.8 m -124.94 143.12 51.04 Favored 'General case' 0 C--N 1.284 -2.239 0 CA-C-O 123.102 1.43 . . . . 0.0 110.014 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 86.0 t -108.02 129.91 61.4 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.71 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.408 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.3 m -127.47 119.55 26.36 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.965 -1.084 . . . . 0.0 108.95 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.47 122.57 39.26 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.591 -0.693 . . . . 0.0 109.993 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.76 38.96 24.44 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.868 -1.145 . . . . 0.0 112.778 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 10.97 83.66 Favored Glycine 0 N--CA 1.502 3.092 0 O-C-N 119.859 -1.776 . . . . 0.0 112.552 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.29 54.53 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.82 158.55 33.12 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-O 123.751 1.739 . . . . 0.0 112.399 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.38 31.36 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 112.416 -2.175 . . . . 0.0 108.515 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.644 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.64 135.99 48.79 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 173.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.02 -6.78 47.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.78 -1.2 . . . . 0.0 110.717 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.644 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.47 13.02 31.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.674 -1.266 . . . . 0.0 109.433 -177.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.5 t -133.13 104.12 6.35 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.096 0.951 . . . . 0.0 110.1 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.26 -37.9 73.05 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.941 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -58.83 -51.38 70.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.529 -1.357 . . . . 0.0 113.118 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.44 70.51 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 119.541 -1.975 . . . . 0.0 109.16 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.75 -33.84 75.98 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.927 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.583 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.62 -10.45 52.2 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.64 -0.663 . . . . 0.0 109.937 -177.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.9 p -89.77 -7.65 53.95 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 118.125 -1.43 . . . . 0.0 110.954 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.44 159.3 15.31 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.209 -0.932 . . . . 0.0 110.096 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 106.893 -2.483 . . . . 0.0 106.893 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.5 mt -119.62 47.34 1.73 Allowed 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.7 -1.471 . . . . 0.0 107.413 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.7 p -81.4 172.55 13.41 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.222 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.62 140.89 57.24 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.893 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.22 78.82 Favored Glycine 0 N--CA 1.5 2.922 0 C-N-CA 120.033 -1.079 . . . . 0.0 111.313 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.46 135.93 34.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.909 -1.348 . . . . 0.0 110.572 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.52 123.69 48.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.17 160.12 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 117.364 -1.734 . . . . 0.0 110.632 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.408 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.5 m -108.88 128.39 54.88 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.48 -1.387 . . . . 0.0 107.556 175.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.89 121.37 60.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.57 147.24 50.7 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -179.561 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.18 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.404 -1.318 . . . . 0.0 109.737 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.13 110.79 6.44 Favored 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 118.608 -1.237 . . . . 0.0 108.045 178.187 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.3 40.14 Favored Glycine 0 C--N 1.295 -1.701 0 C-N-CA 117.994 -2.051 . . . . 0.0 110.331 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.41 -40.67 83.09 Favored 'General case' 0 C--N 1.276 -2.6 0 CA-C-N 114.347 -0.926 . . . . 0.0 112.142 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -113.99 36.86 3.5 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 115.87 -2.332 . . . . 0.0 108.646 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.61 65.9 Favored 'General case' 0 N--CA 1.522 3.132 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.429 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.57 27.47 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 119.619 -1.925 . . . . 0.0 110.972 -176.54 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.787 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.5 -40.78 97.98 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.51 77.59 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 117.506 -1.678 . . . . 0.0 109.996 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.79 -42.24 89.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-O 122.206 1.003 . . . . 0.0 109.274 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.9 -47.98 76.46 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-O 122.075 0.94 . . . . 0.0 108.723 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.787 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.73 -38.4 76.85 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.697 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.537 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.54 -28.66 59.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.408 -1.432 . . . . 0.0 110.837 -174.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.49 70.93 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.508 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.2 63.34 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.463 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.27 84.27 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.01 -1.076 . . . . 0.0 110.491 177.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.32 -37.43 85.57 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.901 -1.124 . . . . 0.0 111.487 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.82 -31.83 61.8 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.136 -0.977 . . . . 0.0 110.32 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.35 45.87 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.482 -0.761 . . . . 0.0 111.35 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.06 125.46 12.22 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 124.394 2.045 . . . . 0.0 112.871 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.901 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.8 mt-10 . . . . . 0 C--N 1.278 -2.536 0 CA-C-N 111.084 -2.78 . . . . 0.0 110.186 -177.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.607 ' O2 ' ' NE2' ' C' ' 78' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -57.86 -36.94 73.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.606 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.3 mt-10 -58.48 -76.31 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.486 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 3' ' ' GLU . 97.2 mt -37.45 -39.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.331 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.93 -46.13 82.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.908 0.385 . . . . 1.94 110.197 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.9 tt0 -67.37 -36.18 80.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.251 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.2 t -63.79 -42.59 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.431 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.44 -44.19 95.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.973 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.88 -42.39 89.36 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.465 -0.568 . . . . 1.04 109.465 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -41.51 98.56 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.89 -43.17 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.226 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.11 -43.98 99.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.022 -0.535 . . . . 1.05 109.77 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 92.5 mt -64.02 -44.4 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 1.02 109.978 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' A' ' 14' ' ' ASN . 48.6 t-20 -61.16 -46.22 91.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.724 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -60.0 -44.11 94.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.929 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.84 -41.81 99.79 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.536 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 92.7 mm-40 -64.48 -42.58 95.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.4 77.6 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.854 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.53 -46.43 90.2 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.3 m -54.76 -43.85 73.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.08 -42.78 99.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.723 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.57 -50.74 72.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.54 -42.51 92.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.598 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.73 92.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.752 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.34 86.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.663 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.23 -45.27 95.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.434 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.73 -42.11 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.86 -41.87 96.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.795 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.61 92.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.75 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.75 -29.69 69.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.161 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.7 -4.32 55.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.488 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.85 17.16 63.96 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.34 78.85 2.07 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.718 0.294 . . . . 0.0 110.286 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -64.7 -34.36 78.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.34 75.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.132 0.491 . . . . 0.0 110.788 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.83 82.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.302 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.98 -48.47 78.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.46 -43.41 98.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.645 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.34 99.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.814 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.34 -40.35 93.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.492 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.487 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 91.2 mmm -63.93 -40.87 97.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.663 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.25 -44.23 97.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.014 0.435 . . . . 0.0 110.505 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.97 -40.46 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.161 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 t -61.8 -45.75 92.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.509 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.47 -42.56 96.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.345 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.8 ttp -60.57 -44.66 95.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.237 0.542 . . . . 0.0 110.579 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.02 97.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.217 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.29 -40.32 93.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.618 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.38 -42.04 98.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.359 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -65.49 -40.2 92.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.198 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.02 78.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.441 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -61.7 -39.02 89.99 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.019 -0.537 . . . . 0.13 110.373 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.0 mt -60.35 -44.07 95.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.91 -42.73 92.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.997 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.457 ' NE2' ' CB ' ' A' ' 77' ' ' ALA . 11.2 tp-100 -60.86 -43.11 98.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.281 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.3 m -56.88 -42.99 80.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 1.03 110.087 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.89 -40.22 92.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.528 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.69 -39.7 80.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.65 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.58 -40.35 84.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 1.01 110.853 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -81.06 -15.01 57.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.501 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.97 -16.68 43.71 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.484 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 68.1 t0 -96.37 -30.06 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 0.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.17 90.01 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.515 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.53 174.19 33.22 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.87 123.52 18.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 110.623 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.2 -0.0 60.29 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -101.65 151.24 22.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.444 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -75.43 141.18 43.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -88.72 -9.79 50.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.876 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 m -101.73 120.43 51.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.773 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.575 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 85.8 p -129.61 162.05 29.15 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.5 mt -57.89 -45.63 86.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.573 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.55 -48.5 84.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.905 0.383 . . . . 0.0 110.588 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.575 ' H ' ' HG ' ' A' ' 71' ' ' SER . 86.5 mt -63.9 -42.06 97.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.184 -0.462 . . . . 1.03 110.895 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.51 -47.31 91.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.749 -0.66 . . . . 1.12 110.227 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.57 ' HD1' ' CG1' ' C' ' 70' ' ' VAL . 1.3 t60 -59.68 -44.99 93.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.848 0.356 . . . . 0.0 110.347 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' CB ' ' NE2' ' A' ' 55' ' ' GLN . . . -64.19 -43.54 94.76 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.427 -0.352 . . . . 1.01 110.67 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -62.48 -39.79 94.6 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.195 -0.457 . . . . 1.89 110.201 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.27 -46.46 79.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.392 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.615 ' CE1' ' O3 ' ' D' ' 200' ' ' PO3 . 69.0 m-70 -67.78 -46.01 73.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.668 -0.413 . . . . 0.13 110.71 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.08 -46.57 90.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.823 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.1 mmt -61.57 -43.34 99.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.204 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.8 p -63.57 -46.98 83.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.088 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.8 t -62.54 -48.61 78.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.9 tpp -57.47 -48.54 78.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.533 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.06 -44.37 97.49 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.156 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.47 79.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.847 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -58.43 -46.23 86.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.146 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.497 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.1 mt-10 -60.43 -44.08 96.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.064 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.98 -42.07 97.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.094 0.473 . . . . 0.0 109.83 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.3 mt -60.68 -42.61 92.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.487 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.4 m -57.22 -45.8 83.54 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.63 -0.428 . . . . 0.0 109.901 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.43 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 99.6 mt-10 -63.78 -43.06 97.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.485 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.466 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 79.2 mt -59.76 -43.31 94.38 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.404 HG23 HD13 ' A' ' 95' ' ' ILE . 91.5 mt -60.93 -42.83 94.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.512 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -62.48 -38.39 89.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.7 -42.04 99.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.857 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.6 m80 -60.34 -39.16 86.12 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 102' ' ' LYS . 80.9 tt0 -62.19 -39.1 91.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.179 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.61 -39.61 94.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.148 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.8 mt -64.24 -41.44 96.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.363 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.3 mttt -90.92 140.82 29.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.478 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.58 179.852 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.88 -37.54 74.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.538 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.1 mt-10 -57.87 -76.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt -37.46 -38.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.562 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.03 -46.04 82.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 1.94 110.379 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' GLU . 83.8 tt0 -67.21 -36.14 81.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.232 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.83 -42.35 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -60.89 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.878 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mtp -59.01 -42.06 89.24 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.575 -0.528 . . . . 1.05 109.575 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.42 98.12 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.91 -43.05 99.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 110.398 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.2 -43.96 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.958 -0.565 . . . . 1.08 109.695 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.44 HD12 HG22 ' B' ' 13' ' ' ILE . 92.6 mt -64.15 -44.45 97.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.918 -0.583 . . . . 1.02 109.902 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' B' ' 14' ' ' ASN . 48.3 t-20 -61.06 -46.04 92.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.809 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.6 t -60.2 -44.1 95.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.124 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -41.64 99.83 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.33 -43.02 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.2 78.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.922 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.79 -45.89 92.62 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.9 m -55.27 -43.6 74.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.26 -43.01 99.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.677 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.37 -50.98 71.89 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.497 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.2 m-85 -59.37 -42.44 91.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.691 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.18 93.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.737 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.33 85.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.621 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.24 -45.55 94.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.301 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.51 -42.2 74.15 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.72 -41.75 95.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.866 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.68 93.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.685 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.71 -29.75 69.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.059 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.78 -4.04 55.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.42 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.59 17.12 64.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.28 78.77 2.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.815 0.341 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.58 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -49.15 76.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.064 0.459 . . . . 0.0 110.814 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.66 81.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.72 77.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.628 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.1 -43.67 98.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.6 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.41 99.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.21 -40.57 94.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.476 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 91.3 mmm -63.71 -40.84 97.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.587 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.31 -44.49 96.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.477 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.47 -40.41 96.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.29 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 43.8 t -61.96 -45.87 91.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.48 -42.52 96.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.251 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 55.2 ttp -60.48 -44.8 95.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.285 0.564 . . . . 0.0 110.653 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.97 97.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.148 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.51 -40.35 92.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.69 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.43 -41.39 97.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.394 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.95 -40.35 91.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.154 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.06 -45.27 77.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.433 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -61.38 -39.1 89.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.13 110.254 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.49 -44.06 96.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.412 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.62 -43.45 93.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 110.074 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.473 ' NE2' ' CB ' ' B' ' 77' ' ' ALA . 11.3 tp-100 -60.04 -43.75 95.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.3 m -56.37 -43.15 78.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 1.03 109.955 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.14 -39.81 91.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.918 0.389 . . . . 0.0 110.529 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -68.91 -39.5 79.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.697 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.75 -40.36 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.038 -0.528 . . . . 1.01 110.798 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -81.3 -14.11 57.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.617 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.52 -16.92 40.98 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.48 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 67.9 t0 -96.54 -30.04 13.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.576 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.18 90.22 4.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.393 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.85 174.63 33.16 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -63.29 123.51 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.8 -0.56 61.35 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -101.51 151.36 22.05 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.674 0.273 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mtm -75.63 141.89 42.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.607 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -89.25 -9.03 52.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 m -103.09 120.17 52.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.756 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.572 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 99.0 p -129.08 163.9 24.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.527 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.27 -45.4 93.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.545 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.6 -47.98 88.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.764 0.316 . . . . 0.0 110.573 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.572 ' H ' ' HG ' ' B' ' 71' ' ' SER . 87.5 mt -64.24 -41.89 96.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.136 0.493 . . . . 1.03 110.984 -178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.41 -47.16 91.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.755 -0.657 . . . . 1.12 110.343 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.635 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.5 t-80 -59.47 -45.91 90.27 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.854 -0.338 . . . . 2.11 110.317 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.473 ' CB ' ' NE2' ' B' ' 55' ' ' GLN . . . -63.38 -43.68 96.91 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.864 0.364 . . . . 1.01 110.409 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.49 -39.98 95.24 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.124 -0.489 . . . . 1.89 110.216 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 46.5 tp -56.2 -46.6 79.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.363 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.635 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 69.5 m-70 -67.62 -45.89 74.07 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.681 -0.408 . . . . 0.14 110.796 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.35 -46.34 90.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 19.4 mmt -61.81 -43.52 98.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.236 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.1 p -63.17 -47.02 84.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.133 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -62.36 -48.95 77.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.673 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.6 tpp -57.05 -48.92 77.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.412 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.83 -44.46 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.118 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.33 80.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.942 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -58.87 -45.76 89.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.275 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.491 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.8 mt-10 -60.67 -43.99 97.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.219 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.95 -42.16 97.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.029 0.442 . . . . 0.0 109.984 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.67 -42.57 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.195 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.476 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 16.2 m -57.11 -46.12 82.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.061 0.458 . . . . 0.0 109.919 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.427 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.4 mt-10 -63.63 -42.45 98.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.49 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.462 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 78.5 mt -60.43 -43.2 97.04 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.09 -42.84 94.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.554 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -62.17 -38.97 91.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.31 -42.12 99.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.834 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.3 m80 -60.24 -39.31 86.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.723 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' B' ' 102' ' ' LYS . 81.6 tt0 -62.16 -39.03 91.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.056 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.7 -39.49 94.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.115 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.3 mt -64.31 -41.59 96.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.383 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.3 mttt -90.85 140.91 29.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.584 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.596 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.88 -37.28 73.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.3 mt-10 -58.17 -76.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' C' ' 3' ' ' GLU . 97.5 mt -37.46 -38.96 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.431 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.03 -45.95 83.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 1.94 110.424 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' C' ' 3' ' ' GLU . 83.9 tt0 -67.43 -35.86 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.95 -42.62 96.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.372 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 84.7 t -60.71 -43.92 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.029 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.1 -42.07 89.63 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.539 -0.541 . . . . 1.05 109.539 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.16 -41.59 98.33 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.72 -42.96 99.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.969 0.414 . . . . 0.0 110.388 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.3 -44.1 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.556 . . . . 1.09 109.707 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.99 -44.26 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 1.02 110.053 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -61.38 -46.24 91.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.719 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -59.79 -44.29 94.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.1 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.83 99.78 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.2 -42.9 96.44 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.28 -49.56 76.69 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.56 -46.16 91.24 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 64.6 m -54.93 -43.89 73.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.97 -42.71 99.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.778 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -50.57 73.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.491 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.62 -42.74 93.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.549 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.94 92.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.732 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.35 86.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.615 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.25 -45.32 95.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.374 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.67 -42.18 74.76 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.74 -41.82 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.966 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.26 92.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.776 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.06 -29.56 69.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.123 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -81.84 -4.29 56.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.469 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 17.3 63.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -100.34 78.65 2.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.782 0.325 . . . . 0.0 110.308 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -64.64 -34.57 78.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -48.76 78.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 0.0 110.646 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.65 81.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.16 79.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.522 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.5 -43.67 98.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.572 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.53 99.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 87.9 mmm -65.28 -40.49 93.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.487 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 91.3 mmm -63.72 -41.05 98.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.33 -44.2 97.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.408 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.71 -40.22 96.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.294 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -62.25 -45.89 91.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.449 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.37 -42.43 95.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.35 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 56.9 ttp -60.61 -44.95 95.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.316 0.579 . . . . 0.0 110.518 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.64 98.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.83 -40.8 95.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.718 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.1 -41.79 97.33 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.367 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.65 -40.22 92.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.078 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.5 76.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.397 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.563 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.4 t60 -61.21 -38.84 88.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.14 110.282 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.82 -43.89 97.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.352 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.6 -43.46 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.031 0.443 . . . . 0.0 109.967 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.476 ' NE2' ' CB ' ' C' ' 77' ' ' ALA . 11.3 tp-100 -60.11 -43.75 95.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.273 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 16.0 m -56.3 -43.15 78.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 1.03 110.197 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.13 -39.76 91.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.504 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.88 -39.46 79.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.822 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.73 -40.2 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 1.01 110.836 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.593 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 79.2 mm-40 -81.54 -14.21 57.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.461 -179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.68 -16.09 43.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.497 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 68.0 t0 -97.24 -30.01 13.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.908 0.385 . . . . 0.0 110.498 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.31 90.18 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.77 174.41 33.08 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -62.88 123.35 18.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 0.0 110.578 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.69 -0.54 61.0 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -101.27 151.29 22.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.668 0.27 . . . . 0.0 110.491 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mtm -75.78 141.88 42.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.577 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -89.21 -8.83 52.78 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.57 ' CG1' ' HD1' ' A' ' 76' ' ' HIS . 3.6 m -102.98 119.93 52.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.756 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.562 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 98.3 p -128.04 166.27 18.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.475 -178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.99 -44.43 96.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.726 -177.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.07 -48.48 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 130.053 3.341 . . . . 0.0 110.645 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.562 ' H ' ' HG ' ' C' ' 71' ' ' SER . 90.8 mt -65.93 -41.72 90.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.072 0.463 . . . . 1.03 111.043 177.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.94 -47.42 91.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.749 -0.66 . . . . 1.13 110.297 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.623 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.5 t-80 -59.73 -45.77 91.17 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.914 -0.314 . . . . 1.96 110.242 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.476 ' CB ' ' NE2' ' C' ' 55' ' ' GLN . . . -63.64 -43.43 96.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.896 0.379 . . . . 1.01 110.41 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.79 -39.72 95.13 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.251 -0.432 . . . . 1.89 110.311 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 46.3 tp -56.28 -46.51 79.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.499 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.623 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 69.7 m-70 -67.68 -46.06 73.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.399 . . . . 0.13 110.76 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.11 -46.68 89.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.792 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 19.6 mmt -61.47 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.358 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 22.6 p -63.82 -46.61 84.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.152 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.81 -48.79 77.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.6 tpp -56.98 -48.72 77.73 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.694 0.283 . . . . 0.0 110.505 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.11 -44.37 97.44 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.115 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.09 -48.05 81.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.969 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -59.01 -45.77 89.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.23 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.48 -44.25 96.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.168 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.92 -42.13 97.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.189 0.519 . . . . 0.0 110.008 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.65 -42.5 92.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.406 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.487 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 16.8 m -57.08 -46.14 82.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.47 . . . . 0.0 110.011 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.62 -42.73 98.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.509 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.453 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 79.1 mt -60.07 -43.27 95.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.89 -42.95 94.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.597 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -62.04 -39.14 91.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.135 0.493 . . . . 0.0 109.763 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.11 -42.02 98.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.912 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.5 m80 -60.56 -39.0 86.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.705 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.2 tt0 -62.07 -39.38 92.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.117 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.33 -39.33 94.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.256 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.63 -41.59 96.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.386 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.3 mttt -90.64 140.99 29.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.489 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.502 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.512 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.217 -0.656 0 CA-C-O 121.866 0.841 . . . . 0.0 108.929 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.04 36.63 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.25 38.42 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.104 -0.998 . . . . 0.0 109.498 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.12 28.44 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.29 18.95 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.101 -0.999 . . . . 0.0 108.416 178.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.75 136.65 37.0 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.189 0.995 . . . . 0.0 110.076 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.97 114.33 24.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.89 -4.36 19.26 Favored 'General case' 0 C--N 1.264 -3.128 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.902 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.46 141.8 85.91 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 119.691 -1.881 . . . . 0.0 110.632 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.53 -47.65 12.98 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 124.717 3.612 . . . . 0.0 114.159 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.563 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 97.8 m-20 -102.11 27.46 6.62 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 116.076 -2.25 . . . . 0.0 108.803 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 64.95 -132.28 36.81 Favored Glycine 0 N--CA 1.496 2.683 0 C-N-CA 117.675 -2.202 . . . . 0.0 109.559 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 9.4 tp -119.25 80.77 1.61 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.927 -1.337 . . . . 0.0 109.469 -176.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -86.72 175.41 8.27 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 117.804 -1.559 . . . . 0.0 112.231 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.546 ' OG1' ' O3 ' ' D' ' 200' ' ' PO3 . 81.4 p -25.08 -68.49 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.536 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 9.4 ttt-85 -47.34 -64.51 1.0 Allowed Pre-proline 0 N--CA 1.494 1.745 0 C-N-CA 120.124 -0.63 . . . . 0.0 112.477 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.39 -32.29 60.82 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 C-N-CA 121.884 1.723 . . . . 0.0 111.519 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.81 86.95 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.275 -0.891 . . . . 0.0 109.527 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.98 -39.7 72.35 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.99 -39.41 94.05 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.019 -1.473 . . . . 0.0 109.443 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.534 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.29 93.44 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.596 1.188 . . . . 0.0 108.684 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.62 -42.36 95.69 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.289 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.642 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.407 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 91.7 mttt -63.86 -40.2 96.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.236 -0.915 . . . . 0.0 109.84 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.467 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.7 80.13 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.46 -0.775 . . . . 0.0 109.595 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.91 92.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.593 -1.317 . . . . 0.0 109.42 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.29 -16.26 43.8 Favored 'General case' 0 N--CA 1.511 2.579 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.61 86.03 Favored Glycine 0 N--CA 1.478 1.445 0 O-C-N 119.909 -1.744 . . . . 0.0 109.355 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.416 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.41 143.29 32.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.3 -1.706 . . . . 0.0 110.037 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.5 p -75.58 -30.08 59.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.272 -0.892 . . . . 0.0 112.348 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.72 158.57 10.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 119.885 -1.759 . . . . 0.0 112.831 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.2 35.31 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 102.805 -3.035 . . . . 0.0 102.805 171.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.59 60.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.386 0 CA-C-O 122.207 1.004 . . . . 0.0 109.28 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.9 m -124.92 143.24 50.97 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-O 123.085 1.422 . . . . 0.0 109.948 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 87.0 t -108.12 129.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.771 0 N-CA-C 105.534 -2.025 . . . . 0.0 105.534 173.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.46 119.59 26.44 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.891 -1.131 . . . . 0.0 108.989 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.52 122.59 39.28 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.56 -0.713 . . . . 0.0 109.914 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.76 38.91 24.3 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.965 -1.085 . . . . 0.0 112.757 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.99 83.54 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 119.959 -1.713 . . . . 0.0 112.516 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.81 136.28 54.53 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.77 158.55 33.03 Favored 'General case' 0 C--N 1.276 -2.63 0 CA-C-O 123.775 1.75 . . . . 0.0 112.468 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.41 31.46 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 112.493 -2.139 . . . . 0.0 108.582 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.633 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.63 135.99 48.81 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.05 -6.76 47.72 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.608 -1.307 . . . . 0.0 110.657 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.633 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.46 12.92 31.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.648 -1.282 . . . . 0.0 109.382 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.8 t -133.07 104.19 6.4 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 122.14 0.971 . . . . 0.0 110.154 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.9 tp -57.3 -37.85 73.08 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.969 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -58.88 -51.33 70.47 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.61 -1.306 . . . . 0.0 113.081 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.41 70.46 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 119.594 -1.942 . . . . 0.0 109.234 -178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.77 -33.74 75.8 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.95 -1.1 . . . . 0.0 109.982 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.593 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.66 -10.47 52.56 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.675 -0.641 . . . . 0.0 109.895 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.9 p -89.81 -7.73 53.69 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 118.077 -1.449 . . . . 0.0 110.919 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.32 159.35 15.3 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.197 -0.939 . . . . 0.0 110.208 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.75 2.96 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.54 47.39 1.72 Allowed 'General case' 0 C--N 1.308 -1.224 0 O-C-N 120.798 -1.413 . . . . 0.0 107.439 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 3.4 p -81.44 172.56 13.38 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.781 -1.168 . . . . 0.0 109.254 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.7 140.92 57.34 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.289 -0.965 . . . . 0.0 109.904 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.25 78.91 Favored Glycine 0 N--CA 1.501 2.98 0 C-N-CA 120.03 -1.081 . . . . 0.0 111.408 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.44 135.86 34.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.93 -1.335 . . . . 0.0 110.634 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.48 123.7 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.17 160.07 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 C-N-CA 117.418 -1.713 . . . . 0.0 110.635 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.87 128.44 54.91 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 120.604 -1.31 . . . . 0.0 107.542 175.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.91 121.38 60.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.18 50.7 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -179.521 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.71 153.47 47.24 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.697 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.8 6.42 Favored 'General case' 0 C--N 1.288 -2.07 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.04 178.163 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.34 40.16 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 118.001 -2.047 . . . . 0.0 110.392 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.43 -40.57 82.91 Favored 'General case' 0 C--N 1.275 -2.661 0 CA-C-N 114.349 -0.926 . . . . 0.0 112.169 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.05 36.79 3.55 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 118.94 -2.35 . . . . 0.0 108.594 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.4 -33.47 65.81 Favored 'General case' 0 N--CA 1.522 3.138 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -174.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.419 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.96 -45.57 27.15 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 119.657 -1.902 . . . . 0.0 110.987 -176.569 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.784 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.84 98.17 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.45 77.82 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 117.435 -1.706 . . . . 0.0 110.061 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.2 t -66.8 -42.2 88.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-O 122.278 1.037 . . . . 0.0 109.347 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.85 -47.96 76.34 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.105 0.955 . . . . 0.0 108.765 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.784 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.8 m-70 -69.75 -38.33 76.76 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.72 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.61 -28.66 58.95 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.457 -1.402 . . . . 0.0 110.899 -174.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.37 -39.51 71.95 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.446 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.26 62.88 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.467 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.24 -45.25 84.12 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.532 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.35 -37.34 85.29 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.884 -1.135 . . . . 0.0 111.532 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -75.0 -31.72 61.47 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.203 -0.936 . . . . 0.0 110.313 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.94 -32.17 45.42 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.529 -0.732 . . . . 0.0 111.39 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.11 125.47 12.31 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 124.305 2.003 . . . . 0.0 112.87 178.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.902 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.1 mm-40 . . . . . 0 C--N 1.276 -2.592 0 CA-C-N 111.214 -2.721 . . . . 0.0 110.136 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.615 ' O3 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.72 138.12 58.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.4 mt-10 -62.41 137.56 58.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 3' ' ' GLU . 94.5 mt -37.43 -36.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.481 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.09 -46.72 79.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.894 0.378 . . . . 1.94 110.292 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' GLU . 98.2 mt-10 -68.51 -35.66 77.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.311 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.36 -41.61 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.18 -44.04 97.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.876 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 86.4 mtp -58.7 -42.35 88.4 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.484 -0.562 . . . . 1.04 109.484 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.04 97.82 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.31 -43.36 98.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.221 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.0 -44.64 99.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 1.05 109.747 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG22 HD13 ' A' ' 13' ' ' ILE . 87.7 mt -64.1 -44.27 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.529 . . . . 1.02 109.979 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -61.1 -46.79 89.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.766 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.402 ' HG ' ' H ' ' A' ' 16' ' ' GLY . 78.3 p -59.92 -43.39 94.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.018 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.591 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.14 -42.22 99.52 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -64.32 -43.05 95.88 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.05 75.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.822 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.617 HH21 ' HH ' ' A' ' 23' ' ' TYR . 76.3 ttt180 -60.07 -46.74 88.57 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -54.36 -43.96 71.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.52 -42.11 98.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.757 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -50.47 73.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.617 ' HH ' HH21 ' A' ' 19' ' ' ARG . 8.5 m-85 -59.73 -41.56 91.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.651 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.3 92.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.73 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.32 85.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.652 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.8 -45.03 96.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.402 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.48 -42.08 77.68 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -61.62 -44.21 97.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.817 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.02 95.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.765 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.7 -31.36 70.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.145 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -82.19 -3.49 55.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.373 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.25 16.88 68.12 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -99.37 79.26 2.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.748 0.309 . . . . 0.0 110.195 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.63 -33.61 76.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.656 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.59 74.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.003 0.43 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.13 80.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.1 81.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.54 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.84 -42.02 98.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.627 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -44.0 97.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.55 -39.92 92.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.535 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 90.1 mtp -62.1 -42.78 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.606 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.35 -43.98 97.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.438 . . . . 0.0 110.575 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.44 -41.15 98.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.215 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.4 t -61.75 -47.07 86.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.526 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -60.23 -43.31 96.14 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.35 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.21 -43.66 95.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.18 0.514 . . . . 0.0 110.556 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.76 -43.92 94.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.223 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.84 -40.68 95.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.86 -42.94 98.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.284 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.03 -39.77 93.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.164 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.12 74.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.476 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -60.87 -39.35 88.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.13 110.36 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 mt -60.97 -44.08 97.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.357 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.65 -43.12 90.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.962 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -60.25 -44.35 95.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.237 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.1 m -56.8 -42.84 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.03 110.018 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.69 -39.94 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.515 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.63 -30.57 71.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.666 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.4 mt -83.72 -31.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 1.01 110.886 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.41 -9.65 59.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.44 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.18 177.41 4.31 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 55.6 p-10 -64.38 145.29 56.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 110.663 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.38 145.32 52.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.03 164.33 54.33 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -59.16 102.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.688 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.39 0.82 84.86 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 68' ' ' MET . 54.9 mtpt -119.89 133.84 55.44 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.677 0.275 . . . . 0.0 110.437 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.411 ' O ' ' O ' ' A' ' 67' ' ' LYS . 98.5 mmm -61.33 -132.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.643 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -96.72 -7.2 34.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.0 t -105.55 127.41 60.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.712 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.6 p -136.41 171.0 15.13 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.31 -41.4 84.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.563 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.72 -45.55 94.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.86 0.362 . . . . 0.0 110.559 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.53 -41.98 98.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.213 -0.448 . . . . 1.03 110.956 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.86 -47.29 92.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.795 -0.639 . . . . 1.12 110.153 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -58.34 -46.28 86.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.837 0.351 . . . . 0.0 110.344 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.73 -43.04 94.67 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.415 -0.357 . . . . 1.01 110.62 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.93 -41.13 97.6 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.89 110.181 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.1 tp -56.6 -45.57 81.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.368 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.593 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 72.1 m-70 -66.87 -46.26 75.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.303 -0.408 . . . . 0.13 110.747 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.36 -45.85 92.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.847 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.65 -43.43 98.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.189 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.8 p -63.59 -45.48 90.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.095 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.85 -49.92 72.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.386 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.14 -48.23 79.21 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.555 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.97 -44.0 97.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.94 0.4 . . . . 0.0 110.089 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.91 -48.78 78.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.797 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -59.06 -45.3 91.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.117 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.597 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 96.2 mt-10 -60.35 -44.72 95.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.076 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.67 -43.1 94.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.163 0.506 . . . . 0.0 109.878 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -60.33 -42.26 90.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.28 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.3 m -57.62 -46.35 84.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.01 0.433 . . . . 0.0 109.841 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.428 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 99.2 mt-10 -64.1 -42.78 96.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.574 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.406 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 69.8 mt -59.27 -43.87 92.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.95 -42.51 93.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.554 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -61.78 -38.78 89.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.786 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.58 -41.88 99.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.907 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 66.7 m80 -61.06 -38.32 85.77 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 102' ' ' LYS . 10.3 tm-20 -63.32 -39.1 93.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.242 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.54 -40.59 97.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.227 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.82 -42.24 95.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.355 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.462 ' O ' ' OXT' ' A' ' 103' ' ' ALA . 55.0 mtpt -88.64 141.26 28.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.484 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.462 ' OXT' ' O ' ' A' ' 102' ' ' LYS . . . . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.59 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.1 138.0 58.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.3 mt-10 -62.2 137.81 58.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.425 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 3' ' ' GLU . 95.6 mt -37.63 -36.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.503 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.23 -46.62 79.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 1.94 110.349 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.6 mt-10 -68.42 -35.88 78.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.19 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.15 -41.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.305 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -61.07 -43.85 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.854 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 86.2 mtp -58.91 -41.81 88.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.58 -0.526 . . . . 1.05 109.58 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.8 -42.41 97.08 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.01 -43.19 99.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.342 . . . . 0.0 110.342 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.35 -44.58 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 1.08 109.677 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.12 -44.27 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.954 -0.566 . . . . 1.02 109.934 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -61.11 -46.79 89.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.767 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.8 p -59.8 -43.58 94.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.089 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -41.81 99.33 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -64.22 -43.56 94.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.93 75.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.948 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.597 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 76.4 ttt180 -59.95 -46.81 88.2 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -54.34 -43.76 71.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.66 -42.36 98.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.733 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.37 74.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.592 ' HH ' HH21 ' B' ' 19' ' ' ARG . 8.5 m-85 -59.84 -41.32 91.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.716 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.2 93.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.725 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.2 86.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.705 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.97 -45.38 94.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.277 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.06 -42.24 76.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.46 -44.03 97.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.879 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.08 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.69 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.67 -31.52 70.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.023 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.95 -3.79 55.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.4 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.28 16.69 68.53 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.01 79.39 2.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.757 0.313 . . . . 0.0 110.331 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.79 -33.6 76.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.644 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.8 74.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.09 79.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.49 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.18 81.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.81 -42.29 98.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.529 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.32 97.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.682 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.7 mtt -65.16 -40.45 94.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 90.5 mtp -61.48 -42.94 99.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.635 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.18 -44.0 98.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.48 -41.34 98.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -61.54 -47.31 86.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.455 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.18 -43.27 95.98 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.23 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.15 -43.61 95.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.335 0.588 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.58 95.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.146 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.1 -40.61 94.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.693 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.95 -42.75 98.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.286 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.35 -39.8 92.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.104 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.37 74.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.467 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.63 -39.68 89.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.13 110.25 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -60.77 -44.33 96.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.318 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.46 -43.34 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.019 0.438 . . . . 0.0 109.949 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -59.81 -44.66 93.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.245 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.7 m -56.73 -43.04 80.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 1.03 109.988 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.61 -39.87 95.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.86 0.362 . . . . 0.0 110.518 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.46 -30.6 71.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.677 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.405 HG22 HD11 ' B' ' 59' ' ' ILE . 96.5 mt -83.77 -31.69 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.028 -0.533 . . . . 1.01 110.813 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -81.42 -9.84 59.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.533 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.73 176.65 4.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 55.2 p-10 -64.07 145.29 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.518 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.38 145.4 51.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.19 164.76 54.37 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.23 102.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.64 0.79 85.48 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' B' ' 68' ' ' MET . 55.5 mtpt -120.13 134.22 55.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.635 0.255 . . . . 0.0 110.475 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' MET . . . . . 0.401 ' O ' ' O ' ' B' ' 67' ' ' LYS . 98.5 mmm -61.48 -132.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.627 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -97.19 -6.51 34.57 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.1 t -106.72 127.32 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.864 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.5 p -136.18 171.99 13.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.505 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.04 -41.73 92.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.587 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.08 -45.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.607 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.68 -41.28 98.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.145 0.498 . . . . 1.03 110.981 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.36 -47.09 93.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.755 -0.657 . . . . 1.12 110.284 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.46 ' CE1' ' CD2' ' B' ' 80' ' ' HIS . 58.9 t-80 -58.94 -45.98 89.12 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.819 -0.352 . . . . 2.11 110.293 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.38 95.12 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.937 0.398 . . . . 1.01 110.434 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -62.84 -40.68 98.18 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.09 -0.505 . . . . 1.89 110.228 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -56.95 -45.28 82.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.407 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.46 ' CD2' ' CE1' ' B' ' 76' ' ' HIS . 71.9 m-70 -67.34 -45.97 74.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.39 -0.368 . . . . 0.14 110.671 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.9 mt -61.59 -46.12 91.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.829 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.28 -43.39 98.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.243 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.1 p -63.62 -45.66 89.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.159 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -62.54 -49.92 73.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -57.08 -48.61 78.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.473 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.42 -44.27 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.161 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.77 -48.6 79.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.885 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -59.04 -45.34 90.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.23 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.594 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.7 mt-10 -60.59 -44.65 96.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.127 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.56 -42.97 95.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.498 . . . . 0.0 110.042 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.1 mt -60.55 -42.56 91.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.187 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 5.8 m -57.4 -45.89 84.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.016 0.436 . . . . 0.0 109.845 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.422 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.5 mt-10 -64.27 -42.99 96.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.526 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.429 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 68.8 mt -59.36 -43.64 92.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.2 mt -61.14 -42.1 91.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.542 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.99 -39.2 91.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.47 -41.51 98.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.884 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -61.38 -38.45 87.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.79 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' B' ' 102' ' ' LYS . 10.4 tm-20 -63.18 -39.34 94.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.032 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.44 -40.62 97.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.76 -41.87 95.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 99' ' ' GLU . 54.6 mtpt -89.12 141.8 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . 0.441 ' OXT' ' O ' ' B' ' 102' ' ' LYS . . . . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.513 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.58 138.23 58.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.628 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.3 mt-10 -62.22 137.6 58.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.342 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' C' ' 3' ' ' GLU . 95.5 mt -37.66 -36.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.455 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.33 -46.59 79.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 1.94 110.349 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.7 mt-10 -68.39 -36.03 78.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.344 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 89.8 t -63.75 -42.03 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 81.9 t -61.07 -43.66 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.971 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 86.8 mtp -59.34 -41.76 89.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.567 -0.531 . . . . 1.05 109.567 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.77 -42.16 97.26 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.1 -43.29 98.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.318 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.27 -44.58 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 1.09 109.706 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.9 -44.47 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.006 -0.543 . . . . 1.02 110.081 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.88 -47.48 86.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.778 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' SER . . . . . 0.418 ' HG ' ' H ' ' C' ' 16' ' ' GLY . 79.3 p -59.0 -43.88 91.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.169 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . 0.418 ' H ' ' HG ' ' C' ' 15' ' ' SER . . . -63.0 -42.3 99.7 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.86 -43.63 95.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.37 -50.17 74.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.732 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.618 HH21 ' HH ' ' C' ' 23' ' ' TYR . 76.6 ttt180 -60.19 -46.42 89.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.7 m -54.74 -43.66 72.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.51 -42.56 98.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.721 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.77 -50.28 74.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.618 ' HH ' HH21 ' C' ' 19' ' ' ARG . 8.4 m-85 -60.09 -41.34 92.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.513 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.11 93.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.697 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.73 86.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.595 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.42 -44.97 96.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.67 -41.96 78.19 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.63 -43.93 97.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.157 0.504 . . . . 0.0 109.931 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.06 95.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.806 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.92 -31.41 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.108 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.79 -3.73 54.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.436 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . 0.402 ' HA2' ' HZ1' ' C' ' 102' ' ' LYS . . . 83.16 17.21 67.54 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.83 79.11 2.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.774 0.321 . . . . 0.0 110.258 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.49 -33.93 77.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.486 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.81 74.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.617 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.29 80.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.23 81.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.473 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.65 -42.55 99.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.641 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.9 98.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.58 -40.25 92.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.614 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 90.3 mtp -61.78 -42.71 99.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.703 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.54 -43.63 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.453 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.79 -41.11 97.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.328 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -61.87 -47.1 86.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.455 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.32 -42.98 96.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.332 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 66.0 ttp -60.5 -43.67 96.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.301 0.572 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.6 96.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.392 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.22 -40.62 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.11 -42.32 98.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.306 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.27 -40.24 93.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.982 0.42 . . . . 0.0 110.031 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.41 74.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.438 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.43 -39.67 88.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.14 110.325 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.98 -44.28 97.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.26 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.13 -43.36 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.025 0.441 . . . . 0.0 109.951 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -59.98 -44.77 94.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.276 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.5 m -56.49 -42.94 79.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 1.03 110.141 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.85 -39.75 95.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.509 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.45 -30.71 71.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.71 -31.65 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 1.01 110.76 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.541 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 -81.44 -9.6 59.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.418 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.79 177.53 3.82 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 54.7 p-10 -64.89 145.57 56.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.346 . . . . 0.0 110.455 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.56 145.28 52.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.16 164.4 54.4 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.12 102.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 0.0 110.613 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.47 1.02 85.72 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' C' ' 68' ' ' MET . 55.4 mtpt -120.08 134.17 55.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 110.589 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' MET . . . . . 0.403 ' O ' ' O ' ' C' ' 67' ' ' LYS . 98.4 mmm -61.57 -132.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.549 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -97.04 -6.72 34.6 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.802 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 54.1 t -106.48 126.92 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.772 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 36.9 p -135.2 174.15 10.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.479 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.86 -41.01 97.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.726 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.19 -45.6 95.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 130.115 3.366 . . . . 0.0 110.608 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.8 -41.1 92.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 1.03 110.966 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.47 -47.71 91.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.803 -0.635 . . . . 1.13 110.235 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.466 ' CE1' ' CD2' ' C' ' 80' ' ' HIS . 58.9 t-80 -58.78 -46.02 88.49 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.901 -0.32 . . . . 1.96 110.34 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.49 94.89 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.843 0.354 . . . . 1.01 110.377 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.537 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 59.1 tt0 -62.77 -40.51 97.5 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.211 -0.45 . . . . 1.89 110.241 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 45.1 tp -57.04 -45.5 83.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.481 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.466 ' CD2' ' CE1' ' C' ' 76' ' ' HIS . 72.1 m-70 -67.37 -45.7 75.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.334 -0.394 . . . . 0.13 110.732 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.8 -46.01 91.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.844 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.34 -43.18 99.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.383 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.4 p -63.9 -45.61 88.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.143 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 77.3 p -62.68 -49.73 73.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.618 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.04 -48.58 78.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.521 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.2 tp -61.68 -44.06 97.66 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.132 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.6 79.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -58.95 -45.52 90.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.2 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.29 -44.8 95.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.104 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.65 -42.86 95.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.191 0.52 . . . . 0.0 110.02 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -60.69 -42.51 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.365 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -57.32 -45.81 83.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.041 0.448 . . . . 0.0 109.976 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.44 -42.88 95.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.488 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.422 ' CD1' ' OE1' ' B' ' 93' ' ' GLU . 70.0 mt -59.26 -43.91 92.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.413 HD12 HG21 ' C' ' 95' ' ' ILE . 89.9 mt -60.79 -42.36 92.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.638 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -61.64 -39.39 91.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.737 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.24 -41.76 98.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.864 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -61.13 -38.54 86.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.737 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.4 tm-20 -63.07 -39.28 94.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.149 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.45 -40.67 97.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.199 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.6 -41.98 95.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.335 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' C' ' 99' ' ' GLU . 54.7 mtpt -89.2 141.61 28.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.47 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . 0.436 ' OXT' ' O ' ' C' ' 102' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.585 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.866 0.841 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.76 143.02 36.74 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.33 38.63 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.042 -1.036 . . . . 0.0 109.513 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.14 149.23 28.55 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.28 19.02 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.04 -1.037 . . . . 0.0 108.408 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.71 144.43 19.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.74 136.49 37.2 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.116 0.96 . . . . 0.0 110.18 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.4 mt -84.83 114.28 24.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.86 -4.32 19.36 Favored 'General case' 0 C--N 1.265 -3.078 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.893 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.48 141.84 85.9 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 119.717 -1.864 . . . . 0.0 110.616 178.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.53 -47.7 12.91 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 124.753 3.636 . . . . 0.0 114.124 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -102.1 27.6 6.5 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 116.085 -2.246 . . . . 0.0 108.836 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.91 -124.53 23.73 Favored Glycine 0 N--CA 1.497 2.755 0 C-N-CA 117.605 -2.236 . . . . 0.0 109.627 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 78.08 1.81 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.938 -1.331 . . . . 0.0 109.519 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.405 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.4 OUTLIER -84.78 176.58 8.43 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.831 -1.548 . . . . 0.0 112.151 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.528 ' OG1' ' O2 ' ' D' ' 200' ' ' PO3 . 7.5 p -22.48 -69.24 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 117.308 2.336 . . . . 0.0 117.308 -176.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.591 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 10.4 ttt-85 -46.37 -65.96 0.6 Allowed Pre-proline 0 N--CA 1.493 1.694 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.498 -177.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.8 Cg_endo -64.35 -32.13 61.51 Favored 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.464 1.443 . . . . 0.0 111.519 177.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.03 87.22 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.221 -0.924 . . . . 0.0 109.469 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.88 -39.65 72.72 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -64.04 -39.37 93.94 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.463 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.73 -45.34 93.2 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.561 1.172 . . . . 0.0 108.675 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 64.5 t -62.53 -42.28 95.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.255 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.768 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -63.82 -40.33 96.36 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.225 -0.922 . . . . 0.0 109.778 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.468 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.75 -39.72 80.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.485 -0.759 . . . . 0.0 109.595 177.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.95 91.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.525 -1.359 . . . . 0.0 109.425 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.44 -16.15 44.1 Favored 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.96 -10.48 86.19 Favored Glycine 0 N--CA 1.478 1.5 0 O-C-N 119.913 -1.742 . . . . 0.0 109.319 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.416 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.48 143.29 32.91 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.233 -1.745 . . . . 0.0 110.013 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.2 p -75.56 -30.03 59.56 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.233 -0.917 . . . . 0.0 112.377 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.76 158.52 10.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 119.857 -1.777 . . . . 0.0 112.828 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.28 35.46 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 102.877 -3.009 . . . . 0.0 102.877 171.194 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.72 136.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.441 0 CA-C-O 122.178 0.99 . . . . 0.0 109.289 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.415 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -125.02 143.14 51.06 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-O 123.142 1.449 . . . . 0.0 110.002 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.415 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.05 129.89 61.48 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.724 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 173.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 336' ' ' THR . . . . . . . . . . . . . 69.2 m -127.47 119.51 26.27 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.887 -1.133 . . . . 0.0 108.888 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.53 122.62 39.33 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.563 -0.711 . . . . 0.0 109.887 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.93 24.34 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.962 -1.086 . . . . 0.0 112.78 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 10.96 83.59 Favored Glycine 0 N--CA 1.501 3.019 0 O-C-N 119.957 -1.714 . . . . 0.0 112.565 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.87 136.27 54.56 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.71 158.6 32.83 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-O 123.801 1.762 . . . . 0.0 112.432 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.38 31.3 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 112.451 -2.159 . . . . 0.0 108.582 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.632 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.62 136.01 48.84 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 173.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.0 -6.77 47.68 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.732 -1.23 . . . . 0.0 110.703 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.632 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.49 12.89 31.79 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.669 -1.27 . . . . 0.0 109.358 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.0 t -133.05 104.13 6.38 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 122.15 0.976 . . . . 0.0 110.135 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.17 -37.87 72.77 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.002 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -58.93 -51.32 70.56 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.577 -1.327 . . . . 0.0 113.042 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.44 70.52 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 119.516 -1.99 . . . . 0.0 109.218 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.78 -33.78 75.89 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 118.998 -1.081 . . . . 0.0 109.918 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.541 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.66 -10.44 52.29 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.601 -0.687 . . . . 0.0 109.888 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 42.7 p -89.78 -7.74 53.73 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 118.099 -1.441 . . . . 0.0 110.95 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.29 159.25 15.35 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.195 -0.941 . . . . 0.0 110.212 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.86 2.96 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.59 47.41 1.72 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.631 -1.511 . . . . 0.0 107.43 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 4.2 p -81.38 172.5 13.48 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.822 -1.151 . . . . 0.0 109.251 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.7 140.91 57.33 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.922 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.17 78.89 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 119.941 -1.123 . . . . 0.0 111.332 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.51 135.89 34.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.87 -1.37 . . . . 0.0 110.633 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.48 123.73 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.14 160.1 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.39 -1.724 . . . . 0.0 110.687 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.8 m -108.95 128.32 54.83 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.512 -1.367 . . . . 0.0 107.591 175.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.7 mt -107.81 121.38 60.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 176.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.403 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.31 50.7 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.47 -1.292 . . . . 0.0 109.714 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.81 6.42 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 118.513 -1.275 . . . . 0.0 108.041 178.115 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.29 40.16 Favored Glycine 0 C--N 1.296 -1.694 0 C-N-CA 118.024 -2.036 . . . . 0.0 110.411 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.38 -40.64 82.85 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 114.439 -0.881 . . . . 0.0 112.205 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.05 36.82 3.53 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 115.875 -2.33 . . . . 0.0 108.53 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.35 -33.61 65.82 Favored 'General case' 0 N--CA 1.52 3.074 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -45.68 27.55 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.633 -1.917 . . . . 0.0 111.0 -176.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.775 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.76 97.95 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.5 77.65 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 117.415 -1.714 . . . . 0.0 110.079 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.75 -42.3 89.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 122.24 1.019 . . . . 0.0 109.317 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.85 -47.86 76.54 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-O 122.048 0.928 . . . . 0.0 108.814 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.775 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.81 -38.36 76.56 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.699 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.53 -28.67 59.17 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.352 -1.468 . . . . 0.0 110.885 -174.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.83 -49.23 63.32 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.468 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.36 -45.2 84.63 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.513 177.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.32 85.27 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.96 -1.088 . . . . 0.0 111.518 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.88 61.67 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.144 -0.972 . . . . 0.0 110.279 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.84 -32.38 46.1 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 111.325 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.03 125.52 12.31 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 124.251 1.977 . . . . 0.0 112.922 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.893 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.6 mm-40 . . . . . 0 C--N 1.277 -2.557 0 CA-C-N 111.096 -2.775 . . . . 0.0 110.082 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.593 ' O2 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -57.41 -36.43 71.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 6' ' ' GLU . 79.1 mm-40 -58.43 -77.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.457 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 3' ' ' GLU . 97.0 mt -36.98 -38.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.423 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.26 -45.94 82.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.941 0.4 . . . . 1.94 110.257 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.1 tt0 -68.76 -36.78 78.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.64 -42.86 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.38 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.1 t -60.84 -43.82 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.924 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.5 mtp -59.47 -42.18 91.44 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.523 -0.547 . . . . 1.04 109.523 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.62 -42.08 98.88 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.276 -1.129 . . . . 0.0 110.276 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.2 mt -62.88 -42.54 99.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.824 0.345 . . . . 0.0 110.23 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.4 -43.89 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.944 -0.571 . . . . 1.05 109.759 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.405 HD11 ' NZ ' ' D' ' 324' ' ' LYS . 90.0 mt -63.68 -44.6 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 1.02 109.973 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.05 -45.78 92.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.747 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.0 t -61.52 -44.2 97.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.969 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.69 -44.32 96.54 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.498 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.0 mm-40 -62.9 -45.55 92.0 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.29 82.16 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.578 ' NH2' ' OG1' ' A' ' 83' ' ' THR . 43.4 ttm180 -60.14 -47.21 86.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.546 ' HG ' ' N ' ' A' ' 21' ' ' LEU . 78.0 p -56.43 -42.98 78.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.546 ' N ' ' HG ' ' A' ' 20' ' ' SER . 68.2 mt -62.72 -41.95 99.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.718 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.75 77.79 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -60.78 -40.44 92.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.581 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.12 94.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.786 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.76 91.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.702 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.86 -45.01 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.453 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -55.55 -42.14 74.21 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.41 -41.21 96.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.755 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.56 95.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.695 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.55 -29.09 69.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.168 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -80.81 -4.54 55.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.456 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 15.39 68.1 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -99.59 79.36 2.25 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.771 0.319 . . . . 0.0 110.333 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.72 -34.3 78.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.661 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.37 79.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 110.73 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.87 82.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.72 82.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.594 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.48 -43.43 98.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.74 98.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.33 -42.41 92.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.503 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 74.4 mtm -64.1 -40.22 95.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.635 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.08 -46.41 89.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.006 0.431 . . . . 0.0 110.593 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.02 -41.65 97.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.208 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 m -60.88 -45.6 93.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -60.35 -42.38 95.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.292 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.44 -41.55 97.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.227 0.537 . . . . 0.0 110.567 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.67 97.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.185 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.59 -39.54 91.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.62 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 51.3 t-20 -59.81 -42.92 94.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.286 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.82 -39.66 91.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.23 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.01 -45.79 80.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.49 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -61.64 -38.08 86.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.026 -0.534 . . . . 0.13 110.361 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.26 -43.54 96.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.0 -43.1 96.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 110.064 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -60.15 -44.11 95.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.24 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.4 m -57.03 -42.66 80.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 1.03 110.056 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.24 -39.49 86.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.482 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.4 -39.37 77.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.645 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.55 -39.93 83.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 1.01 110.843 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -84.15 -12.83 54.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.503 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.5 -17.22 43.05 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -86.27 111.8 20.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.46 139.15 57.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.481 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . -98.32 -7.45 55.97 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.28 111.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.677 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.31 -28.98 7.49 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 68' ' ' MET . 68.7 mttm -105.45 147.54 28.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.629 0.252 . . . . 0.0 110.504 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.504 ' O ' ' O ' ' A' ' 69' ' ' LYS . 67.2 mtt -53.22 -162.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.616 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.733 ' HZ3' ' CD2' ' B' ' 76' ' ' HIS . 88.1 tttt -42.83 -101.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.893 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.23 -143.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.708 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.9 p -132.22 166.07 22.68 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.86 -42.29 79.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.668 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.35 -45.39 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.856 0.36 . . . . 0.0 110.515 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.06 -41.02 97.7 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.014 0.435 . . . . 1.03 110.892 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -59.97 -47.53 91.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.807 -0.633 . . . . 1.12 110.218 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.78 -46.12 88.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.819 0.342 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.21 99.35 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.814 0.34 . . . . 1.01 110.714 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.64 -38.49 90.47 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.112 -0.495 . . . . 1.89 110.125 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.0 tp -56.89 -47.13 81.2 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.361 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.621 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 52.2 m80 -68.3 -46.39 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.738 -0.385 . . . . 0.13 110.768 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.57 -46.41 90.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.844 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.33 -43.54 98.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.187 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.578 ' OG1' ' NH2' ' A' ' 19' ' ' ARG . 23.7 p -62.11 -45.05 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.15 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -61.8 -49.07 77.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 54.2 ttp -57.42 -47.42 81.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.546 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.16 -44.92 96.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.922 0.392 . . . . 0.0 110.163 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.14 86.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.837 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -57.66 -46.72 83.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.105 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.518 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 98.3 mt-10 -61.57 -43.08 99.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.061 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.46 -42.84 91.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.127 0.489 . . . . 0.0 109.821 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.04 -42.34 92.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.349 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.5 m -58.47 -45.23 89.03 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.417 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 99.5 mt-10 -64.11 -43.43 95.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.594 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.53 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 76.5 mt -59.13 -43.75 92.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 87.0 mt -60.88 -42.95 94.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.514 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -60.7 -40.21 91.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.49 -41.82 99.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.884 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.9 m80 -59.57 -40.19 86.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.98 -40.42 93.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.185 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.59 -34.49 78.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.201 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.3 mt -81.64 -3.44 53.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.373 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 56.66 23.06 7.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.52 -179.752 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -57.69 -36.54 72.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.592 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.2 mm-40 -58.42 -77.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.0 mt -37.05 -38.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.546 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.61 -45.65 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 1.94 110.359 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 3' ' ' GLU . 80.7 tt0 -68.61 -37.0 79.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.24 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.59 -42.85 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.406 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.78 -43.9 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.89 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.53 -42.04 91.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.586 -0.524 . . . . 1.05 109.586 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.06 98.71 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.69 -42.66 99.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 110.309 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.574 ' CD1' ' HZ1' ' A' ' 69' ' ' LYS . 97.4 mt -63.37 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.545 . . . . 1.08 109.704 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.51 -44.74 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.537 . . . . 1.02 109.912 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.1 -45.73 92.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.834 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -61.55 -43.97 97.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.125 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.09 96.56 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.483 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.1 mm-40 -63.13 -45.06 93.74 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.14 82.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.952 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.571 ' NH2' ' OG1' ' B' ' 83' ' ' THR . 43.6 ttm180 -60.25 -46.88 88.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.538 ' HG ' ' N ' ' B' ' 21' ' ' LEU . 78.1 p -57.04 -42.89 81.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.538 ' N ' ' HG ' ' B' ' 20' ' ' SER . 68.9 mt -62.66 -41.96 99.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.755 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.29 -48.67 78.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.518 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.7 m-85 -60.79 -40.46 92.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.717 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.05 93.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.753 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.12 91.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.602 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.55 -44.99 96.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.295 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -55.77 -42.14 75.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.21 -41.2 96.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.863 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.84 96.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.733 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.26 -29.2 69.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.026 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -80.95 -4.52 55.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.7 15.6 67.72 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -99.74 79.05 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.812 0.339 . . . . 0.0 110.374 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -64.62 -34.09 77.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.593 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.66 78.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.56 81.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.384 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.98 -47.5 82.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.59 -43.51 98.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 0.0 110.558 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.9 98.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.38 -42.37 92.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.465 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 74.3 mtm -63.96 -40.69 97.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.505 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.91 -46.34 89.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.51 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -63.83 -41.64 97.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.315 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -61.2 -45.35 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.474 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -60.39 -42.37 95.74 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.233 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 59.7 mtt -61.56 -41.45 97.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.278 0.561 . . . . 0.0 110.691 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.13 97.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.114 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.34 -39.4 92.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.739 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -60.1 -42.97 95.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.342 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.58 -39.85 92.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.175 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.8 -46.1 79.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.498 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -61.34 -38.08 85.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.13 110.306 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.32 -43.47 96.34 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.32 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.92 -43.41 96.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.063 0.459 . . . . 0.0 109.976 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -59.94 -44.18 94.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.225 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 11.7 m -56.9 -43.21 81.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 1.03 109.981 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.9 -39.59 85.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.87 0.367 . . . . 0.0 110.532 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.42 -39.13 78.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.668 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.0 mt -67.66 -39.75 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.09 -0.505 . . . . 1.01 110.742 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -84.38 -13.04 53.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.01 -17.4 43.89 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -86.33 112.33 21.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 0.0 110.572 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.16 139.62 56.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . -98.68 -7.69 55.3 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.91 111.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 110.624 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.49 -29.0 7.57 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' B' ' 68' ' ' MET . 68.8 mttm -105.7 147.85 28.08 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.579 0.228 . . . . 0.0 110.458 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' MET . . . . . 0.497 ' O ' ' O ' ' B' ' 69' ' ' LYS . 67.3 mtt -53.4 -162.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.743 ' HZ3' ' CD2' ' C' ' 76' ' ' HIS . 88.1 tttt -42.91 -101.2 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -92.47 -145.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.773 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 95.2 p -131.49 167.59 19.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.51 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.39 -41.96 90.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.571 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 65.7 t -62.71 -44.7 99.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.585 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.38 -41.12 98.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 1.03 110.959 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.87 -46.52 93.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.768 -0.651 . . . . 1.12 110.285 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.733 ' CD2' ' HZ3' ' A' ' 69' ' ' LYS . 47.8 t60 -59.57 -46.06 90.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.91 -0.316 . . . . 2.11 110.325 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.07 99.77 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.911 0.386 . . . . 1.01 110.439 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.42 -38.64 90.46 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.141 -0.481 . . . . 1.89 110.259 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 36.1 tp -56.83 -47.37 80.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.405 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.448 ' O ' ' OG1' ' B' ' 83' ' ' THR . 51.6 m80 -68.03 -46.35 71.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.14 110.733 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.407 ' O ' ' OG ' ' B' ' 84' ' ' SER . 84.6 mt -60.71 -46.35 90.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.772 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.34 -43.56 98.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.186 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.571 ' OG1' ' NH2' ' B' ' 19' ' ' ARG . 22.7 p -62.07 -44.86 95.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.155 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' B' ' 81' ' ' LEU . 78.2 p -61.79 -49.1 77.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.574 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 55.0 ttp -57.6 -47.18 82.85 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.453 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.39 -45.06 95.95 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.106 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.22 85.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.871 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.77 -46.56 84.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.322 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.52 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 98.6 mt-10 -61.36 -43.24 99.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.133 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.49 -43.01 91.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.113 0.483 . . . . 0.0 109.968 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . 0.426 HD13 HG23 ' B' ' 91' ' ' ILE . 75.6 mt -60.81 -42.54 92.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.172 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 76.5 m -58.41 -45.27 88.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.084 0.469 . . . . 0.0 109.918 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.412 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.0 mt-10 -64.04 -43.54 95.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.475 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.4 mt -58.96 -43.63 91.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.465 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 86.0 mt -61.12 -42.61 93.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.516 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -60.98 -40.19 92.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.723 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.66 -42.0 99.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.833 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.8 m80 -59.17 -40.29 85.15 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.05 -40.38 93.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.124 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.53 -34.4 78.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.192 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 53.9 mt -81.58 -3.67 53.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.317 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 56.49 23.3 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.607 -179.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -57.9 -36.33 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.0 mm-40 -58.4 -76.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.362 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' C' ' 3' ' ' GLU . 96.8 mt -37.09 -38.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.34 -45.84 82.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 1.94 110.429 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' C' ' 3' ' ' GLU . 80.8 tt0 -68.45 -37.02 79.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.375 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.57 -43.03 98.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.379 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.66 -43.81 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.031 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.52 -42.29 91.91 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.558 -0.534 . . . . 1.05 109.558 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.5 -42.31 98.98 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.49 -42.44 99.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 110.417 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.591 ' CD1' ' HZ1' ' B' ' 69' ' ' LYS . 97.4 mt -63.52 -43.96 98.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 1.09 109.677 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.424 HD11 HG21 ' C' ' 13' ' ' ILE . 92.5 mt -63.56 -44.75 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.509 . . . . 1.02 110.083 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.0 -45.68 92.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.783 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -61.49 -44.41 97.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.171 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.61 -44.09 97.0 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . 0.491 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -62.97 -45.47 92.29 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.28 -48.53 81.28 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.571 ' NH2' ' OG1' ' C' ' 83' ' ' THR . 43.7 ttm180 -59.86 -46.98 87.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.538 ' HG ' ' N ' ' C' ' 21' ' ' LEU . 78.3 p -57.1 -42.7 81.28 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.538 ' N ' ' HG ' ' C' ' 20' ' ' SER . 69.0 mt -62.75 -41.89 99.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.708 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -48.69 78.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.433 0.635 . . . . 0.0 109.327 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.52 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -60.87 -40.13 91.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.558 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.89 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.715 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.14 91.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.584 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.56 -44.83 96.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.41 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -55.96 -41.59 74.94 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.87 -40.57 95.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.895 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.41 97.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.785 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.95 -28.99 69.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.049 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -80.6 -4.9 55.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.94 15.38 67.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -99.54 79.11 2.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.776 0.322 . . . . 0.0 110.267 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.61 -33.97 77.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.54 78.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.081 0.467 . . . . 0.0 110.7 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.07 79.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.384 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.47 81.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.452 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.64 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.567 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.31 99.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.04 -42.14 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.524 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 74.4 mtm -64.2 -40.17 95.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.591 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.4 -46.57 88.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.431 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.78 -41.49 97.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.326 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -61.01 -45.57 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.547 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -60.34 -42.54 95.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.349 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.27 -41.63 97.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.34 0.59 . . . . 0.0 110.527 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.81 98.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.278 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.65 -39.66 91.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.665 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -59.98 -42.82 95.03 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.413 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.48 -39.96 92.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.013 0.435 . . . . 0.0 110.057 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.96 80.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.423 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.577 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 62.7 t-80 -61.53 -37.84 85.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.536 . . . . 0.14 110.346 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.54 -43.12 97.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.291 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.09 -43.17 95.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.06 0.457 . . . . 0.0 110.023 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -60.41 -44.12 96.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.249 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 10.8 m -57.0 -42.92 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 1.03 110.12 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.78 -39.83 86.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.507 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.1 -39.42 79.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.35 -39.83 83.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 1.01 110.849 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.533 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -84.37 -12.85 53.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.0 -17.61 43.1 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -86.38 112.11 21.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.848 0.356 . . . . 0.0 110.601 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.96 139.47 56.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . -98.43 -7.16 56.16 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.51 111.83 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 110.637 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.34 -29.35 7.21 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' C' ' 68' ' ' MET . 68.8 mttm -105.22 147.81 27.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.637 0.256 . . . . 0.0 110.562 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' MET . . . . . 0.503 ' O ' ' O ' ' C' ' 69' ' ' LYS . 67.2 mtt -53.51 -162.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.561 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.567 ' HZ1' ' CG2' ' D' ' 316' ' ' THR . 87.9 tttt -42.91 -101.32 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 34.3 m -92.53 -145.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.681 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 93.6 p -130.57 169.68 15.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.513 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.22 -43.45 92.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.662 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 63.6 t -62.88 -45.05 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 130.194 3.397 . . . . 0.0 110.584 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.42 -40.9 96.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.115 0.483 . . . . 1.03 111.051 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 44.5 t -59.99 -47.54 91.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.732 -0.667 . . . . 1.13 110.175 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.743 ' CD2' ' HZ3' ' B' ' 69' ' ' LYS . 47.8 t60 -59.24 -46.27 88.93 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.871 -0.332 . . . . 1.96 110.307 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.51 98.64 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.935 0.398 . . . . 1.01 110.421 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.04 -38.71 89.74 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.269 -0.423 . . . . 1.89 110.24 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 36.2 tp -56.68 -47.39 79.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.429 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.448 ' O ' ' OG1' ' C' ' 83' ' ' THR . 51.5 m80 -68.13 -46.33 71.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.312 -0.404 . . . . 0.13 110.748 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.64 -46.43 90.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.16 -43.23 99.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.448 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.571 ' OG1' ' NH2' ' C' ' 19' ' ' ARG . 23.1 p -62.5 -45.02 94.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.173 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -61.64 -49.01 78.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 54.6 ttp -57.39 -47.47 81.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.53 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.23 -45.04 96.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.003 0.43 . . . . 0.0 110.208 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.23 85.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.979 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.9 -46.7 84.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.246 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.0 -43.39 98.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.959 0.409 . . . . 0.0 110.178 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.42 -43.01 91.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.196 0.522 . . . . 0.0 109.957 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.76 -42.68 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.342 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 77.7 m -58.29 -44.95 88.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.114 0.483 . . . . 0.0 109.975 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.41 -43.33 94.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.537 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 75.5 mt -59.14 -43.58 92.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 86.3 mt -60.9 -42.82 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.624 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -60.68 -40.18 91.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.743 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.7 -41.97 99.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.871 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.6 m80 -59.4 -40.34 86.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.728 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.89 -40.41 92.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.161 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.44 -34.43 78.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.28 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 mt -81.68 -3.69 54.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.341 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 56.85 22.84 7.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.448 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.519 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.947 0.879 . . . . 0.0 108.891 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.5 t80 -139.82 143.0 36.61 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.4 38.8 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.012 -1.055 . . . . 0.0 109.534 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.22 149.2 28.47 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.23 152.35 18.93 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.04 -1.037 . . . . 0.0 108.389 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.43 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.77 136.62 37.06 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.19 0.995 . . . . 0.0 110.108 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.87 114.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.93 -4.15 19.42 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.902 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.58 141.81 85.63 Favored Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 119.684 -1.885 . . . . 0.0 110.62 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.5 -47.62 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 124.733 3.622 . . . . 0.0 114.145 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.577 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 89.3 m-20 -102.26 27.64 6.55 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 116.062 -2.255 . . . . 0.0 108.734 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 70.11 -115.69 6.27 Favored Glycine 0 N--CA 1.496 2.699 0 C-N-CA 117.617 -2.23 . . . . 0.0 109.569 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 4.5 tp -138.2 58.63 1.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.937 -1.331 . . . . 0.0 109.517 -176.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -60.09 172.63 0.76 Allowed 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 117.864 -1.535 . . . . 0.0 112.158 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.567 ' CG2' ' HZ1' ' C' ' 69' ' ' LYS . 32.0 p -30.13 -68.34 0.08 Allowed 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -176.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -39.07 -65.38 0.4 Allowed Pre-proline 0 N--CA 1.493 1.687 0 C-N-CA 120.077 -0.649 . . . . 0.0 112.547 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.94 -32.17 55.0 Favored 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 121.643 1.562 . . . . 0.0 111.468 175.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.83 86.66 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.462 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.97 -39.71 72.35 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.92 -39.41 94.1 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.443 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.539 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.72 -45.28 93.49 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 122.554 1.169 . . . . 0.0 108.677 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.71 -42.23 95.36 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.684 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.405 ' NZ ' HD11 ' A' ' 13' ' ' ILE . 94.9 mttt -63.84 -40.25 96.15 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.212 -0.93 . . . . 0.0 109.774 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.81 -39.74 79.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.368 -0.832 . . . . 0.0 109.567 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.03 91.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.682 -1.261 . . . . 0.0 109.418 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.24 -16.28 43.53 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.88 -10.63 86.04 Favored Glycine 0 N--CA 1.479 1.542 0 O-C-N 119.92 -1.737 . . . . 0.0 109.307 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.45 143.29 32.91 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.249 -1.736 . . . . 0.0 110.016 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.3 p -75.57 -30.03 59.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.264 -0.897 . . . . 0.0 112.363 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.77 158.56 10.17 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 119.752 -1.843 . . . . 0.0 112.806 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.99 130.21 35.29 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 102.869 -3.012 . . . . 0.0 102.869 171.256 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.68 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.436 0 CA-C-O 122.219 1.009 . . . . 0.0 109.285 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.9 m -124.96 143.15 51.03 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 123.104 1.431 . . . . 0.0 109.994 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 86.9 t -108.03 129.95 61.35 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.765 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 173.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.47 119.6 26.47 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.893 -1.129 . . . . 0.0 108.946 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.63 122.56 39.11 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.592 -0.693 . . . . 0.0 109.863 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.68 39.04 24.37 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.877 -1.139 . . . . 0.0 112.786 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.65 11.0 83.57 Favored Glycine 0 N--CA 1.503 3.128 0 O-C-N 119.972 -1.705 . . . . 0.0 112.515 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.3 54.54 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.81 158.53 33.16 Favored 'General case' 0 C--N 1.275 -2.64 0 CA-C-O 123.849 1.785 . . . . 0.0 112.403 -175.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.3 31.26 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-N 112.461 -2.154 . . . . 0.0 108.651 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.639 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.54 135.98 48.96 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 173.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.96 -6.85 48.05 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.68 -1.263 . . . . 0.0 110.72 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.639 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.4 12.93 31.48 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.684 -1.26 . . . . 0.0 109.372 -177.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.5 t -133.07 104.1 6.35 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 122.163 0.982 . . . . 0.0 110.199 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 44.8 tp -57.15 -37.98 72.84 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.907 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -58.89 -51.38 70.3 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.635 -1.29 . . . . 0.0 113.033 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.08 -32.41 70.46 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 119.522 -1.986 . . . . 0.0 109.245 -178.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.84 -33.7 75.8 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.937 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.533 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.6 -10.57 53.19 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.645 -0.659 . . . . 0.0 109.94 -177.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.7 p -89.68 -7.71 54.0 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 118.159 -1.417 . . . . 0.0 110.908 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.8 mt -93.44 159.35 15.28 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.209 -0.932 . . . . 0.0 110.08 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.81 2.97 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.1 mt -119.6 47.48 1.7 Allowed 'General case' 0 C--N 1.309 -1.185 0 O-C-N 120.714 -1.462 . . . . 0.0 107.405 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.6 p -81.46 172.49 13.46 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.886 -1.126 . . . . 0.0 109.197 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -60.66 140.92 57.29 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.857 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.19 79.06 Favored Glycine 0 N--CA 1.5 2.93 0 C-N-CA 120.015 -1.088 . . . . 0.0 111.387 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.39 135.88 34.1 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 120.891 -1.358 . . . . 0.0 110.663 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.3 t -96.53 123.65 48.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.09 160.08 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 117.402 -1.719 . . . . 0.0 110.66 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 87.1 m -108.84 128.33 54.81 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 120.483 -1.385 . . . . 0.0 107.668 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.2 mt -107.84 121.36 60.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.64 147.22 50.72 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.67 153.5 47.29 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 118.482 -1.287 . . . . 0.0 109.773 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.29 110.73 6.37 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 118.547 -1.261 . . . . 0.0 108.085 178.175 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.29 -170.26 40.16 Favored Glycine 0 C--N 1.296 -1.69 0 C-N-CA 117.982 -2.056 . . . . 0.0 110.333 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.58 82.96 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-N 114.389 -0.905 . . . . 0.0 112.159 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.99 36.62 3.61 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 115.921 -2.311 . . . . 0.0 108.569 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.49 65.67 Favored 'General case' 0 N--CA 1.521 3.119 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.435 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.61 27.32 Favored 'General case' 0 N--CA 1.508 2.47 0 O-C-N 119.544 -1.973 . . . . 0.0 111.022 -176.61 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.786 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.66 97.65 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.25 -49.48 77.66 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 117.518 -1.673 . . . . 0.0 110.014 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.79 -42.28 89.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-O 122.214 1.007 . . . . 0.0 109.279 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.77 -47.97 76.11 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.078 0.942 . . . . 0.0 108.792 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.786 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.75 -38.3 76.76 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.738 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.539 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.64 -28.62 58.86 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.428 -1.42 . . . . 0.0 110.875 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.45 -39.46 71.22 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.97 -49.2 63.1 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.21 -45.24 84.01 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 118.974 -1.09 . . . . 0.0 110.523 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.41 -37.31 85.31 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.836 -1.165 . . . . 0.0 111.56 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.81 61.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.026 -1.046 . . . . 0.0 110.295 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.92 -32.21 45.52 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.564 -0.71 . . . . 0.0 111.347 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.46 12.25 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 124.313 2.006 . . . . 0.0 112.913 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.902 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.6 mm-40 . . . . . 0 C--N 1.277 -2.578 0 CA-C-N 111.088 -2.778 . . . . 0.0 110.166 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.621 ' O1 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.49 -38.47 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.557 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 6' ' ' GLU . 96.7 mt-10 -58.42 -77.74 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.44 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 3' ' ' GLU . 58.1 mt -38.08 -38.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.435 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -63.37 -48.26 78.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.917 0.389 . . . . 1.94 110.28 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.2 tt0 -66.32 -34.63 78.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.259 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.81 -42.44 95.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.357 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.42 -44.1 97.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.964 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.2 mtp -59.1 -41.85 89.1 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.499 -0.556 . . . . 1.04 109.499 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.44 98.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.31 -42.4 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.235 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.93 -44.61 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 1.05 109.799 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.31 -43.96 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.513 . . . . 1.02 109.959 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.8 -46.03 92.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.771 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 m -59.64 -43.89 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.902 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -63.06 -42.36 99.6 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.4 mm-40 -63.04 -44.06 96.94 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.22 -48.57 81.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -61.15 -46.61 89.85 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 77.9 p -56.01 -43.64 77.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.25 -41.47 98.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.679 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.97 79.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -59.39 -40.6 87.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.575 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.37 87.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.734 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -43.05 90.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.674 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.05 -45.17 94.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.449 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.8 -42.56 71.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.56 -41.8 90.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.771 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.44 94.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.69 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.5 -31.01 70.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.166 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.58 -5.02 59.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.47 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.33 17.53 73.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -97.78 81.12 2.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.761 0.315 . . . . 0.0 110.252 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -64.36 -33.63 76.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.22 80.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.031 0.443 . . . . 0.0 110.748 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.51 81.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.06 81.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.02 -41.75 98.42 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.578 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.68 99.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.747 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.1 mtt -65.7 -41.97 91.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 72.1 mtm -63.81 -41.28 97.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.61 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.37 -45.45 93.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.04 0.448 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.04 -41.65 97.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.257 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.0 m -60.38 -46.23 90.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.525 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.89 -42.23 97.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.327 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.03 -42.47 99.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.214 0.53 . . . . 0.0 110.58 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.28 98.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.15 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.0 -39.67 93.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.655 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -60.49 -42.11 95.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.211 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.58 -40.99 93.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.169 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.57 89.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.511 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -63.54 -37.6 87.92 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.058 -0.519 . . . . 0.13 110.405 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.64 -44.48 96.35 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.33 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.31 -42.59 94.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.069 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.412 HE21 HD22 ' A' ' 74' ' ' LEU . 66.6 tp60 -59.46 -44.21 93.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.279 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 m -56.74 -41.97 78.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 1.03 110.028 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.84 -40.07 91.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.962 0.41 . . . . 0.0 110.582 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.68 -38.38 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.658 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.8 mt -71.08 -38.21 70.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.516 . . . . 1.01 110.86 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -80.17 -16.2 55.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.435 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.44 -16.82 38.65 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 66.9 t0 -95.38 -28.32 15.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.617 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.64 90.31 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.541 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.31 176.5 35.64 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.4 114.42 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.717 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.11 -0.34 73.78 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -97.68 143.37 28.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.711 0.291 . . . . 0.0 110.447 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mmm -64.39 139.91 58.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -87.38 -8.08 57.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 p -105.22 124.16 59.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.0 p -129.4 163.05 26.65 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.8 mt -57.41 -45.77 84.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.552 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.84 -46.16 92.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.543 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.412 HD22 HE21 ' A' ' 55' ' ' GLN . 83.3 mt -63.24 -41.78 99.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.005 0.431 . . . . 1.03 110.916 -178.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.77 -47.48 91.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.805 -0.634 . . . . 1.12 110.191 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -58.94 -45.8 89.56 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.314 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.3 94.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.502 -0.317 . . . . 1.01 110.668 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.31 -40.17 95.42 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.176 -0.465 . . . . 1.89 110.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -57.0 -46.87 81.99 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.423 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.477 ' NE2' ' O3 ' ' D' ' 200' ' ' PO3 . 43.0 m80 -68.11 -46.4 71.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.334 -0.394 . . . . 0.13 110.686 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.94 -46.69 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.741 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.86 -43.11 99.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.216 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.6 p -63.99 -48.62 75.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.094 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.6 m -61.19 -49.36 77.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.471 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.9 ttp -57.5 -48.12 80.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.526 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.03 -45.06 95.24 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.027 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.94 82.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.819 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -57.9 -45.26 86.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.163 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.2 mt-10 -62.0 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.111 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.49 -43.61 93.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 109.844 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.427 HD13 HG22 ' A' ' 91' ' ' ILE . 80.4 mt -60.38 -42.3 90.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.323 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -57.73 -45.19 86.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.028 0.442 . . . . 0.0 109.897 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.95 -44.22 93.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.608 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.578 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.9 mt -59.22 -44.01 92.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.39 -42.65 94.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.441 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.25 -40.55 94.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.31 -41.83 98.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.864 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 66.6 m80 -60.22 -40.56 90.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.85 -38.78 92.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.177 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -63.51 -40.79 97.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.147 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.5 -42.17 95.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -84.4 132.73 34.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.496 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.497 -179.84 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -60.95 -38.88 87.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.613 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -58.19 -77.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' B' ' 3' ' ' GLU . 58.0 mt -38.27 -38.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.413 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.35 -48.25 78.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.879 0.371 . . . . 1.94 110.319 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.9 tt0 -66.22 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.165 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.98 -42.54 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.357 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.37 -43.97 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.901 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -59.11 -41.93 89.34 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.589 -0.522 . . . . 1.05 109.589 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.16 -42.1 98.13 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.3 mt -62.76 -42.69 99.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.769 0.319 . . . . 0.0 110.339 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.96 -44.13 99.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 1.08 109.723 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.53 -44.05 98.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.891 -0.595 . . . . 1.02 109.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.89 -45.99 92.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.83 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.4 m -59.71 -43.91 93.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.059 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.93 -42.3 99.7 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.4 mm-40 -62.89 -44.03 97.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.64 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.878 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -61.04 -46.43 90.77 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.0 p -56.34 -43.34 78.98 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.46 -41.62 98.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.723 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.04 78.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.478 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.1 m-85 -59.29 -40.49 86.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.697 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.42 88.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.673 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -43.16 90.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.665 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.89 -45.39 93.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.385 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.63 -42.73 71.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.7 -41.71 91.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.907 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -43.23 93.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.678 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.74 -31.15 70.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.989 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.39 -5.11 59.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.351 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.23 17.32 74.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -97.46 81.18 2.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.776 0.322 . . . . 0.0 110.327 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.4 -33.78 76.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.555 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.39 80.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.012 0.434 . . . . 0.0 110.753 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.79 82.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.456 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.25 81.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.544 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.13 -41.72 98.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.586 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.41 99.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.628 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 63.1 mtt -65.88 -42.3 90.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.539 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 72.7 mtm -63.52 -41.18 98.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.565 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -62.44 -45.45 93.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.51 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.16 -41.45 97.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.373 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.8 m -60.49 -46.16 91.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.485 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -61.12 -42.05 97.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.365 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.08 -42.25 99.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.225 0.536 . . . . 0.0 110.615 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.83 98.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.131 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.36 -39.7 92.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.712 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -60.49 -41.97 95.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.329 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.75 -40.94 92.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.16 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.82 -43.11 89.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.498 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -63.03 -38.02 89.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.13 110.289 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.17 -44.59 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.342 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.21 -42.71 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 110.023 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.409 HE21 HD22 ' B' ' 74' ' ' LEU . 66.4 tp60 -59.42 -44.39 92.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.1 m -56.5 -42.27 78.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 1.03 109.978 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.57 -40.12 90.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.948 0.404 . . . . 0.0 110.548 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.54 -38.56 87.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.751 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 86.4 mt -70.93 -38.24 71.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.035 -0.529 . . . . 1.01 110.782 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -80.31 -16.27 55.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.601 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.19 -16.88 39.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 66.7 t0 -95.5 -28.28 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.8 90.14 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.464 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.9 176.82 36.52 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.55 114.42 4.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.635 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.5 -0.46 75.76 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -97.81 143.61 28.25 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.67 0.271 . . . . 0.0 110.472 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.6 mmm -64.66 140.64 58.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.667 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -87.81 -7.74 56.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 p -106.2 123.88 61.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.821 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 15.8 p -128.95 164.17 23.73 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.521 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 23.8 mt -59.16 -45.59 90.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.578 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.1 -45.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.574 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.409 HD22 HE21 ' B' ' 55' ' ' GLN . 83.7 mt -63.31 -41.53 98.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.042 0.449 . . . . 1.03 110.979 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -47.1 93.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.757 -0.656 . . . . 1.12 110.296 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.445 ' CE1' ' CE1' ' B' ' 80' ' ' HIS . 53.9 t-80 -59.11 -46.24 88.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.848 -0.341 . . . . 2.11 110.245 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.25 95.4 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.839 0.352 . . . . 1.01 110.441 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -62.26 -39.81 94.13 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.088 -0.506 . . . . 1.89 110.298 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.6 -46.89 83.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.347 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.445 ' CE1' ' CE1' ' B' ' 76' ' ' HIS . 44.1 m80 -68.01 -46.43 71.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.376 -0.375 . . . . 0.14 110.782 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.82 -47.02 88.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.63 -43.02 99.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.189 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.1 p -63.91 -49.09 74.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.131 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -60.54 -49.66 76.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.663 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.53 -47.85 80.88 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.49 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.16 -45.24 94.3 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.62 -47.85 82.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.892 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -57.97 -45.08 87.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.484 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -62.14 -43.04 99.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.165 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.69 -43.55 93.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.115 0.483 . . . . 0.0 110.022 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . 0.42 HG22 HD13 ' B' ' 91' ' ' ILE . 80.8 mt -60.42 -42.27 90.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.253 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 69.5 m -57.64 -45.37 85.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.046 0.45 . . . . 0.0 109.827 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.08 -44.18 93.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.579 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.6 mt -59.09 -44.02 91.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.48 -42.75 95.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.476 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.74 -40.97 94.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.25 -41.75 98.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.803 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.579 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 66.9 m80 -60.16 -40.58 90.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.753 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.69 -39.01 93.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.099 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.83 -40.58 96.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.206 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.12 -42.55 96.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.448 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -84.38 132.67 34.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.513 -179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -61.66 -38.52 88.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.4 mt-10 -58.45 -77.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.288 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' C' ' 3' ' ' GLU . 57.6 mt -38.15 -38.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.467 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -63.57 -48.1 78.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 1.94 110.398 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' C' ' 3' ' ' GLU . 81.0 tt0 -66.27 -34.55 78.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.313 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 96.5 t -63.87 -42.58 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.405 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -61.44 -44.15 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.964 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.1 mtp -59.04 -41.49 87.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.58 -0.526 . . . . 1.05 109.58 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.65 -41.94 97.52 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.9 -42.51 99.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.32 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.81 -44.53 99.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.013 -0.539 . . . . 1.09 109.733 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.16 -44.45 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 1.02 110.015 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.48 -45.85 92.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.765 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 37.2 m -59.79 -44.02 94.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.42 99.68 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . 0.507 ' O ' ' OG ' ' C' ' 20' ' ' SER . 92.2 mm-40 -62.91 -44.11 96.97 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.97 -49.26 78.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -60.93 -46.4 90.83 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.8 p -56.01 -43.94 78.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.87 -41.76 98.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.711 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.51 -48.17 77.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.484 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.3 m-85 -59.43 -40.36 86.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.508 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.36 88.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.72 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.97 91.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.562 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.82 -45.47 93.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.466 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.88 -42.22 71.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.49 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.16 -41.19 92.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.901 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.22 95.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.786 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.86 -31.07 70.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.099 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.25 -5.15 59.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.451 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.35 17.57 73.51 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.76 81.38 2.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.717 0.294 . . . . 0.0 110.258 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.68 -33.77 76.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.547 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.47 79.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.01 0.434 . . . . 0.0 110.654 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.64 81.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.16 81.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.502 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.03 -41.84 98.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.691 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.72 99.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mtt -65.75 -42.09 91.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 74.0 mtm -63.83 -41.04 97.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.586 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.4 -45.71 91.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.482 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -64.1 -41.41 97.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.326 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.54 -45.93 92.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.538 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -61.1 -41.91 97.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.325 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.41 -42.4 99.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.263 0.554 . . . . 0.0 110.493 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.05 98.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.3 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.11 -40.13 94.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.706 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -60.53 -41.99 95.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.334 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.65 -40.84 92.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.026 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.93 -43.23 88.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.388 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.649 ' CD2' ' ND2' ' D' ' 312' ' ' ASN . 63.0 t-80 -62.78 -38.0 88.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.052 -0.522 . . . . 0.14 110.347 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.29 -44.6 95.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.307 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 68.5 t -65.03 -42.88 95.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.993 0.425 . . . . 0.0 109.948 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.42 HE21 HD22 ' C' ' 74' ' ' LEU . 66.3 tp60 -59.31 -44.55 92.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.241 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 15.3 m -56.4 -42.22 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.363 . . . . 1.03 110.122 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.66 -40.19 91.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.47 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.3 -38.51 87.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.14 -37.8 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 1.01 110.832 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.536 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -80.54 -16.43 54.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.445 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.21 -16.65 39.96 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 66.9 t0 -95.62 -28.45 14.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.5 90.41 3.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.37 176.76 35.77 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.46 114.38 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.65 -0.83 75.25 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -97.39 143.37 28.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.606 0.241 . . . . 0.0 110.613 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.54 140.86 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.627 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -88.21 -7.59 56.61 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.794 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 p -106.01 123.2 60.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.789 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 15.5 p -127.48 166.82 17.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.541 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.34 -44.24 97.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.641 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.7 -46.13 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 130.09 3.356 . . . . 0.0 110.683 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.42 HD22 HE21 ' C' ' 55' ' ' GLN . 83.7 mt -65.34 -41.11 94.26 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.191 -0.459 . . . . 1.03 110.975 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.38 -47.55 92.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.821 -0.627 . . . . 1.13 110.2 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.451 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 54.0 t-80 -59.2 -46.08 89.37 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.911 -0.315 . . . . 1.96 110.294 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.96 95.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.864 0.364 . . . . 1.01 110.436 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.65 -39.8 95.04 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.148 -0.478 . . . . 1.89 110.22 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 46.0 tp -57.39 -46.91 82.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.515 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.451 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 44.9 m80 -68.2 -46.28 71.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.382 -0.372 . . . . 0.13 110.73 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.9 -46.88 88.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.821 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.71 -42.74 99.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.3 p -64.35 -48.67 74.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.188 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 73.6 m -61.06 -49.3 77.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.57 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -57.58 -48.19 80.06 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.534 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.86 -45.07 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.154 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.63 84.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -58.17 -45.11 88.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.246 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.84 -43.38 98.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 110.225 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.5 -43.5 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.227 0.537 . . . . 0.0 110.059 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . 0.411 HD13 HG22 ' C' ' 91' ' ' ILE . 80.0 mt -60.41 -42.2 90.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.362 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 74.0 m -57.8 -45.24 86.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.034 0.445 . . . . 0.0 109.917 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.07 -43.94 93.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.565 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.587 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 80.6 mt -59.31 -44.03 92.6 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.33 -42.94 95.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.639 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.7 -40.67 93.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.759 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.29 -41.69 98.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.862 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.2 m80 -60.44 -40.39 90.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.711 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.93 -38.65 91.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.133 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -63.73 -40.93 97.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.321 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.07 -42.47 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.379 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -84.24 132.69 34.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.435 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.505 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.513 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.867 0.842 . . . . 0.0 108.941 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.0 t80 -139.8 143.0 36.66 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.37 38.65 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.935 -1.103 . . . . 0.0 109.555 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.21 149.18 28.46 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.3 19.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.056 -1.027 . . . . 0.0 108.391 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.69 136.62 36.97 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 122.129 0.966 . . . . 0.0 110.14 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.98 114.3 24.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 177.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.83 -4.38 19.33 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.893 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.52 141.76 85.71 Favored Pre-proline 0 N--CA 1.5 2.04 0 O-C-N 119.769 -1.832 . . . . 0.0 110.647 178.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.41 -47.71 12.65 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 124.785 3.657 . . . . 0.0 114.139 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.649 ' ND2' ' CD2' ' C' ' 52' ' ' HIS . 10.3 m120 -102.12 27.57 6.53 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 116.082 -2.247 . . . . 0.0 108.796 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.04 -126.83 29.46 Favored Glycine 0 N--CA 1.497 2.719 0 C-N-CA 117.669 -2.205 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 7.6 tp -126.84 78.8 1.83 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.976 -1.308 . . . . 0.0 109.528 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.413 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.5 OUTLIER -85.81 173.25 10.16 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 117.855 -1.538 . . . . 0.0 112.152 -179.629 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.71 ' HG1' ' N ' ' D' ' 317' ' ' ARG . 4.8 p -23.34 -67.71 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -176.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.71 ' N ' ' HG1' ' D' ' 316' ' ' THR . 34.3 ttt-85 -45.95 -65.54 0.65 Allowed Pre-proline 0 N--CA 1.492 1.658 0 C-N-CA 120.14 -0.624 . . . . 0.0 112.507 -177.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 21.1 Cg_endo -64.64 -32.28 58.13 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 C-N-CA 121.858 1.705 . . . . 0.0 111.509 176.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.75 86.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 0.0 109.526 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.04 -39.72 72.13 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -63.98 -39.3 93.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.49 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.543 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.77 -45.3 93.31 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.56 1.172 . . . . 0.0 108.644 -177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.65 -42.3 95.5 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.303 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.644 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.89 -40.21 96.0 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.282 -0.886 . . . . 0.0 109.744 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.467 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.81 -39.69 79.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.477 -0.764 . . . . 0.0 109.56 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.99 91.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.634 -1.291 . . . . 0.0 109.415 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.27 -16.27 43.72 Favored 'General case' 0 N--CA 1.511 2.614 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.6 86.03 Favored Glycine 0 N--CA 1.479 1.544 0 O-C-N 119.901 -1.75 . . . . 0.0 109.309 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.415 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.4 32.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.322 -1.693 . . . . 0.0 110.006 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.6 p -75.64 -30.04 59.35 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.35 -0.844 . . . . 0.0 112.309 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.8 158.53 10.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 119.828 -1.795 . . . . 0.0 112.868 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.23 35.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 102.805 -3.035 . . . . 0.0 102.805 171.289 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.68 136.66 60.16 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 122.209 1.004 . . . . 0.0 109.294 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.41 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.9 m -125.05 143.17 51.05 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-O 123.132 1.444 . . . . 0.0 109.944 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.41 ' N ' HG23 ' D' ' 334' ' ' THR . 86.2 t -108.09 130.0 61.35 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.69 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 173.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.5 m -127.53 119.57 26.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.918 -1.114 . . . . 0.0 108.917 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.54 122.6 39.27 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.582 -0.699 . . . . 0.0 109.97 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.71 38.96 24.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.943 -1.098 . . . . 0.0 112.761 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 11.02 83.46 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 120.008 -1.683 . . . . 0.0 112.515 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.85 136.28 54.54 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 69.0 m -124.79 158.49 33.22 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-O 123.794 1.759 . . . . 0.0 112.39 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.6 151.43 31.51 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 112.531 -2.122 . . . . 0.0 108.659 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.641 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.66 135.98 48.75 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 173.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.98 -6.74 47.4 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.59 -1.319 . . . . 0.0 110.701 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.641 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.49 12.88 31.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.67 -1.269 . . . . 0.0 109.378 -177.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.1 m -133.03 104.13 6.38 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 122.103 0.954 . . . . 0.0 110.173 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.22 -37.92 72.97 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.954 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -58.89 -51.32 70.53 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.593 -1.317 . . . . 0.0 113.144 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.52 70.75 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 119.505 -1.997 . . . . 0.0 109.191 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.75 -33.79 75.87 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 119.004 -1.078 . . . . 0.0 109.952 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.536 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.61 -10.44 52.09 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.593 -0.692 . . . . 0.0 109.953 -177.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 38.5 p -89.77 -7.79 53.66 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.951 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 93.8 mt -93.29 159.24 15.35 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.202 -0.936 . . . . 0.0 110.211 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.909 0 N-CA-C 106.951 -2.46 . . . . 0.0 106.951 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 87.6 mt -119.59 47.38 1.72 Allowed 'General case' 0 C--N 1.309 -1.167 0 O-C-N 120.741 -1.447 . . . . 0.0 107.438 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 3.2 p -81.53 172.55 13.34 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.745 -1.182 . . . . 0.0 109.19 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.67 140.89 57.31 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.823 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.16 79.0 Favored Glycine 0 N--CA 1.5 2.951 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.335 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.44 135.85 34.09 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.775 -1.426 . . . . 0.0 110.627 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.53 123.69 48.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.15 160.09 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 C-N-CA 117.433 -1.707 . . . . 0.0 110.61 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.87 128.36 54.84 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.619 -1.301 . . . . 0.0 107.592 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.85 121.39 60.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 105.442 -2.059 . . . . 0.0 105.442 176.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.57 147.19 50.69 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.4 47.18 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.799 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.76 6.4 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.06 178.183 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.33 40.2 Favored Glycine 0 C--N 1.297 -1.624 0 C-N-CA 118.002 -2.047 . . . . 0.0 110.375 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.57 82.59 Favored 'General case' 0 C--N 1.276 -2.603 0 CA-C-N 114.437 -0.882 . . . . 0.0 112.19 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.03 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 115.912 -2.315 . . . . 0.0 108.587 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.35 -33.53 65.75 Favored 'General case' 0 N--CA 1.521 3.11 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 -174.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.421 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.65 27.42 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 119.575 -1.953 . . . . 0.0 110.982 -176.569 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.781 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.79 98.02 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 178.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.59 77.29 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.493 -1.683 . . . . 0.0 109.971 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.77 -42.17 88.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 122.198 0.999 . . . . 0.0 109.315 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.93 -47.94 76.63 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 122.047 0.927 . . . . 0.0 108.702 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.781 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 14.0 m-70 -69.79 -38.32 76.64 Favored 'General case' 0 C--N 1.291 -1.966 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.688 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.53 -28.66 59.16 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.431 -1.418 . . . . 0.0 110.908 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.5 71.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.17 63.35 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.467 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.23 84.33 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.534 177.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.35 -37.32 85.2 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.86 -1.15 . . . . 0.0 111.564 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.8 61.62 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.155 -0.966 . . . . 0.0 110.28 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.94 -32.3 45.48 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.453 -0.78 . . . . 0.0 111.31 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.54 12.48 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.358 2.028 . . . . 0.0 112.896 178.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.893 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 78.7 mm-40 . . . . . 0 C--N 1.277 -2.545 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.09 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.537 ' O3 ' ' OG1' ' D' ' 316' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.04 -36.05 72.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' GLU . 79.3 mm-40 -59.54 -75.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.436 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 3' ' ' GLU . 97.1 mt -37.87 -38.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.76 -47.19 79.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 1.94 110.223 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.9 tt0 -67.71 -37.01 81.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.276 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.93 -42.39 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.349 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.47 -44.88 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.926 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.4 mtp -59.3 -41.37 88.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.534 -0.543 . . . . 1.04 109.534 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.6 -42.58 97.3 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.23 -43.62 97.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.252 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.09 -44.6 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 1.05 109.817 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.95 -44.44 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 1.02 110.014 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -61.25 -46.79 88.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.768 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.45 -44.18 96.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.977 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.587 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.06 -44.1 97.81 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.7 mm-40 -62.58 -44.45 96.29 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.13 78.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.83 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -61.21 -46.49 90.24 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.544 ' HG ' ' N ' ' A' ' 21' ' ' LEU . 79.4 p -56.29 -43.56 78.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' N ' ' HG ' ' A' ' 20' ' ' SER . 74.9 mt -61.9 -41.16 97.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.702 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.5 -48.21 79.86 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.49 -41.51 90.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.606 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.5 96.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.751 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.01 88.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.719 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.83 -44.87 95.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.395 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.39 -42.16 73.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.02 -41.47 96.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.775 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.08 94.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.753 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.03 -29.56 69.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.186 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -80.79 -4.76 55.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.28 14.06 75.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.88 80.0 2.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.732 0.301 . . . . 0.0 110.287 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -64.53 -34.63 78.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.659 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.2 83.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.078 0.466 . . . . 0.0 110.754 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.51 81.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.348 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.81 -47.35 85.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.545 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -61.47 -42.1 98.26 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.57 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.1 97.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.63 -39.76 91.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 34.7 mtp -62.19 -42.56 99.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.61 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -62.38 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.499 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.64 -42.21 98.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.259 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -60.16 -46.15 90.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.591 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -60.93 -42.09 97.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.309 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.85 -42.27 98.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.17 0.51 . . . . 0.0 110.526 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.49 98.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.17 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.63 -39.35 91.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.658 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -60.96 -41.97 97.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.327 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.21 -40.12 93.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.195 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.22 81.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.534 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.32 -38.1 88.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.065 -0.516 . . . . 0.13 110.372 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.0 -44.01 98.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.39 -43.38 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.062 0.458 . . . . 0.0 110.033 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.588 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -60.07 -43.76 95.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.588 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 19.5 m -56.78 -42.54 79.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 1.03 110.048 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.71 -38.97 89.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.54 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.98 -30.17 71.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.443 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 96.7 mt -82.31 -32.01 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.53 . . . . 1.01 110.864 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -78.2 -14.53 59.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.59 -39.28 2.24 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 63.3 t0 -66.09 -38.35 88.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.834 0.349 . . . . 0.0 110.618 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.9 138.37 58.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.48 -177.3 28.61 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.81 107.01 1.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.687 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.93 6.09 88.71 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -118.96 103.33 9.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.657 0.265 . . . . 0.0 110.484 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -89.5 -4.22 58.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.553 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.17 141.79 55.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.965 0.412 . . . . 0.0 110.835 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -93.44 -143.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 86.6 p -130.97 164.55 25.1 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 178.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.69 -41.9 82.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.694 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.2 t -63.01 -44.76 99.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.914 0.388 . . . . 0.0 110.514 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.453 ' H ' ' HG ' ' A' ' 71' ' ' SER . 19.4 mt -61.6 -39.7 92.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.057 0.456 . . . . 1.03 110.935 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.45 -46.84 89.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.737 -0.665 . . . . 1.12 110.185 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -58.83 -44.77 90.99 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.319 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.25 98.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.814 0.34 . . . . 1.01 110.679 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.426 HE21 HE21 ' A' ' 55' ' ' GLN . 83.7 mt-30 -61.84 -39.18 90.95 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.89 110.195 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.3 tp -56.52 -46.61 80.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.409 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.574 ' NE2' ' O3 ' ' D' ' 200' ' ' PO3 . 72.3 m-70 -66.82 -46.5 74.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.289 -0.414 . . . . 0.13 110.732 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.33 -45.48 94.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.721 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.05 -43.38 98.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.17 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 22.5 p -62.42 -45.07 94.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.085 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -61.95 -49.17 77.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -58.02 -47.64 82.47 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.52 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.45 -44.46 97.08 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.102 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.42 85.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.872 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -58.64 -45.25 89.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -61.69 -43.99 97.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.092 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.52 -42.5 95.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 109.849 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -60.83 -42.75 93.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.4 m -57.35 -46.08 83.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.036 0.446 . . . . 0.0 109.933 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.43 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 98.9 mt-10 -63.06 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.583 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.547 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.9 mt -59.78 -42.95 94.45 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.02 -42.95 95.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.5 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.13 -39.3 92.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.071 0.462 . . . . 0.0 109.787 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.09 -41.72 98.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.843 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.547 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.8 m80 -60.76 -39.15 87.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 102' ' ' LYS . 82.8 tt0 -61.9 -39.44 91.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.185 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.43 ' HZ1' ' CD2' ' B' ' 98' ' ' HIS . 98.2 mttt -64.44 -39.38 93.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.226 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -64.48 -41.94 96.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.365 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.4 mttt -91.42 142.38 27.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.546 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.533 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.28 -35.86 72.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.545 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.6 mm-40 -59.64 -75.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.1 mt -37.76 -38.55 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.51 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.6 -47.18 79.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.881 0.372 . . . . 1.94 110.272 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.0 tt0 -67.64 -37.07 81.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.279 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.82 -42.46 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.58 -44.63 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.868 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mtp -59.39 -41.63 89.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.54 -0.541 . . . . 1.05 109.54 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -42.65 97.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.85 -43.69 98.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.853 0.358 . . . . 0.0 110.437 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.29 -44.53 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 1.08 109.696 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.89 -44.35 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 1.02 109.893 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' B' ' 14' ' ' ASN . 44.0 t-20 -61.35 -46.59 89.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.932 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -60.79 -43.83 97.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.101 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.73 97.84 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.509 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.8 mm-40 -62.86 -44.63 95.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.38 77.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.976 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.85 -46.58 90.0 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.547 ' HG ' ' N ' ' B' ' 21' ' ' LEU . 81.1 p -55.97 -44.09 78.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.547 ' N ' ' HG ' ' B' ' 20' ' ' SER . 76.2 mt -61.36 -41.57 97.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.711 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.06 80.18 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.42 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 23.4 m-85 -59.66 -41.51 90.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.637 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.6 96.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.778 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.19 89.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.619 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.44 -45.29 94.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.339 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.3 -41.86 72.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.14 -41.14 96.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.873 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.87 95.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.717 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.28 -29.37 69.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.068 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.95 -4.67 55.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.06 14.17 75.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.84 79.85 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.355 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.84 -34.48 78.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.608 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -47.66 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.006 0.432 . . . . 0.0 110.848 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.62 81.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.395 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.26 86.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.578 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -61.37 -42.56 98.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 0.0 110.55 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.09 97.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.649 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 95.0 mmm -65.56 -40.19 92.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 34.2 mtp -61.81 -42.79 99.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.548 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -62.24 -43.62 98.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.464 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.08 -42.46 99.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -60.19 -46.12 90.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.474 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.88 -41.68 96.46 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.369 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.98 -42.6 99.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.32 0.581 . . . . 0.0 110.611 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.28 98.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.171 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.1 -39.24 89.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.785 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -60.95 -41.88 97.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.361 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.34 -39.97 93.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.14 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.49 80.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.44 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.26 -38.22 88.45 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.13 110.222 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.66 -43.95 97.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.878 0.371 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.72 -43.24 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.068 0.461 . . . . 0.0 110.02 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.594 ' OE1' ' N ' ' B' ' 56' ' ' THR . 1.0 OUTLIER -60.3 -43.44 96.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.594 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 18.9 m -56.8 -42.93 80.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 1.03 110.007 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.33 -39.0 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.916 0.389 . . . . 0.0 110.595 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.94 -30.27 71.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.705 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.443 ' CD1' ' NE2' ' B' ' 55' ' ' GLN . 97.0 mt -82.27 -32.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.086 -0.506 . . . . 1.01 110.721 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -78.07 -14.31 59.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.529 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.72 -39.4 2.2 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 64.1 t0 -66.04 -38.38 88.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 110.594 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.15 138.0 58.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.72 -177.29 28.31 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.39 107.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.586 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.55 6.62 88.43 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -119.52 104.32 10.21 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.658 0.266 . . . . 0.0 110.471 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -90.4 -4.15 57.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.637 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.29 142.3 55.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.924 0.392 . . . . 0.0 110.747 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 m -92.15 -144.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.758 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.456 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 93.5 p -130.3 165.95 21.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.53 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.31 -41.68 93.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.545 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.04 -44.41 98.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.6 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' B' ' 71' ' ' SER . 19.5 mt -61.6 -39.27 90.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.167 0.508 . . . . 1.03 111.04 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.8 -46.35 90.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.802 -0.636 . . . . 1.12 110.256 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -59.39 -44.79 92.74 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.836 -0.346 . . . . 2.11 110.309 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.22 98.89 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.917 0.389 . . . . 1.01 110.417 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.434 HE21 HE21 ' B' ' 55' ' ' GLN . 83.5 mt-30 -62.01 -38.93 90.48 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.89 110.264 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.71 -46.42 81.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.398 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' B' ' 83' ' ' THR . 71.4 m-70 -66.94 -46.54 74.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.387 -0.37 . . . . 0.14 110.725 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -60.83 -43.03 98.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.372 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 21.7 p -62.88 -45.1 94.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.12 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -61.89 -49.09 77.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.2 ttp -57.84 -47.85 81.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.517 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.28 -44.53 97.08 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.185 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.76 -47.47 84.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.916 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -58.63 -45.65 88.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.279 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.406 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.7 mt-10 -61.25 -44.24 97.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.128 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.15 -42.67 96.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.042 0.448 . . . . 0.0 110.042 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . 0.401 HG22 HD11 ' B' ' 91' ' ' ILE . 78.1 mt -60.84 -42.7 93.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.196 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -57.14 -46.21 82.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.126 0.489 . . . . 0.0 109.855 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.434 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 98.6 mt-10 -63.1 -43.12 99.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.533 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.3 mt -59.7 -42.92 94.08 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.21 -43.01 95.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.517 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.9 -39.23 91.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.731 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.26 -41.54 98.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.799 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 68.1 m80 -60.82 -39.0 87.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.778 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' B' ' 102' ' ' LYS . 82.6 tt0 -62.16 -39.83 93.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.101 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.439 ' HZ1' ' CD2' ' C' ' 98' ' ' HIS . 98.1 mttt -64.03 -39.3 93.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.23 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.49 -41.64 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.411 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.3 mttt -92.0 142.4 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.622 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.574 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.88 -35.84 71.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.6 mm-40 -59.85 -75.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' C' ' 3' ' ' GLU . 97.0 mt -37.85 -38.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.477 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.75 -47.2 79.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 1.94 110.372 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.4 tt0 -67.45 -37.04 82.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.332 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.86 -42.32 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.385 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.65 -44.54 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.985 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.9 mtp -59.64 -41.27 90.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.598 -0.519 . . . . 1.05 109.598 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.7 -42.55 97.17 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.22 -43.46 98.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.391 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.404 HG23 HD11 ' C' ' 12' ' ' ILE . 92.8 mt -63.26 -44.65 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 1.09 109.679 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.83 -44.29 98.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 1.02 110.044 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' C' ' 14' ' ' ASN . 43.4 t-20 -61.77 -46.2 90.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.837 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.94 -43.65 98.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.185 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.7 -43.41 97.87 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' C' ' 20' ' ' SER . 92.7 mm-40 -63.01 -44.13 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.2 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.19 -46.38 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.546 ' HG ' ' N ' ' C' ' 21' ' ' LEU . 79.1 p -56.09 -44.34 78.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.546 ' N ' ' HG ' ' C' ' 20' ' ' SER . 75.9 mt -61.15 -41.41 96.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.719 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.42 -48.17 79.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.406 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -59.8 -41.48 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.542 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.24 96.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.718 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.39 89.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.537 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.52 -45.13 95.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.416 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.33 -41.98 73.16 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.14 -41.09 96.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.91 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.25 94.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.764 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.15 -29.51 69.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.057 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -80.6 -4.75 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.476 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.98 14.44 75.08 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -97.15 79.98 2.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.718 0.294 . . . . 0.0 110.213 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -64.7 -34.58 78.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.508 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.52 82.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.08 0.467 . . . . 0.0 110.716 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.41 -35.53 81.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.345 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.01 -46.9 87.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.476 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -61.61 -42.61 99.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 110.552 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.23 97.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.59 -40.1 92.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 34.7 mtp -61.9 -42.66 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.622 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -62.49 -42.88 99.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.48 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -63.89 -42.32 97.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.282 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.01 -46.15 90.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.562 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.72 -42.19 96.79 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.395 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.7 mtp -61.74 -42.43 98.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.359 0.6 . . . . 0.0 110.53 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.32 98.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.339 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.98 -39.37 90.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . 0.4 HD21 ' HA ' ' C' ' 49' ' ' ASN . 7.5 m120 -61.08 -41.68 97.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.41 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.49 -40.17 92.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.074 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.5 81.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.364 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' D' ' 312' ' ' ASN . 84.5 t60 -62.1 -38.38 88.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.032 -0.531 . . . . 0.14 110.301 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.0 -43.59 98.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.249 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.62 -43.29 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.066 0.46 . . . . 0.0 110.013 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' C' ' 56' ' ' THR . 1.0 OUTLIER -60.49 -43.47 96.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.236 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' THR . . . . . 0.578 ' N ' ' OE1' ' C' ' 55' ' ' GLN . 18.0 m -56.93 -42.59 80.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.406 . . . . 1.03 110.173 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.5 -38.84 88.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.909 0.385 . . . . 0.0 110.533 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.02 -30.15 71.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.445 ' CD1' ' NE2' ' C' ' 55' ' ' GLN . 96.9 mt -82.43 -32.04 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.911 -0.586 . . . . 1.01 110.834 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.4 mm-40 -78.09 -14.56 59.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.48 -39.38 2.24 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 63.4 t0 -66.07 -38.36 88.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.802 0.334 . . . . 0.0 110.511 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.9 138.1 58.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.75 -177.27 28.27 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.6 107.29 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.73 6.36 88.56 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -119.43 104.18 10.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.643 0.259 . . . . 0.0 110.526 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -90.66 -3.79 57.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.36 142.5 55.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.801 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 m -92.36 -145.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.755 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 99.9 p -129.33 168.03 16.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.487 -178.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.5 -42.63 96.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.674 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.61 -44.73 99.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 130.075 3.35 . . . . 0.0 110.661 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' C' ' 71' ' ' SER . 21.4 mt -63.43 -39.29 94.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.111 0.481 . . . . 1.03 111.067 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.76 -47.29 89.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.757 -0.656 . . . . 1.13 110.213 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -59.1 -44.81 91.97 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.862 -0.335 . . . . 1.96 110.365 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.37 98.66 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.797 0.332 . . . . 1.01 110.379 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.433 HE21 HE21 ' C' ' 55' ' ' GLN . 83.6 mt-30 -61.82 -39.16 90.81 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.89 110.265 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.62 -46.4 80.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.496 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.447 ' O ' ' OG1' ' C' ' 83' ' ' THR . 72.0 m-70 -67.06 -46.39 74.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.391 -0.368 . . . . 0.13 110.732 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.5 -45.34 94.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.825 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.03 -43.02 99.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.382 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 22.1 p -62.98 -44.82 94.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.133 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.05 -49.22 76.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.57 -48.0 80.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.546 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.4 -44.51 97.02 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.71 -47.54 84.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.923 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -58.6 -45.45 89.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.21 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.2 -44.43 97.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.96 0.41 . . . . 0.0 110.224 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.12 -42.86 96.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.157 0.503 . . . . 0.0 110.032 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.54 -42.95 93.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.323 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.5 m -56.98 -45.77 82.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.05 0.453 . . . . 0.0 109.963 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.63 -42.96 98.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.458 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.545 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.1 mt -59.65 -43.0 94.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.403 HG21 HD12 ' C' ' 95' ' ' ILE . 86.0 mt -61.07 -42.91 94.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.546 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -62.23 -39.02 91.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.11 0.481 . . . . 0.0 109.73 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.24 -41.4 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.934 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.4 m80 -61.16 -38.65 87.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.767 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.9 tt0 -62.4 -39.71 94.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.092 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.21 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.5 -41.88 96.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.377 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.2 mttt -91.8 142.38 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.53 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.517 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.876 0.846 . . . . 0.0 108.901 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.5 t80 -139.78 143.03 36.72 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.96 156.28 38.58 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.001 -1.062 . . . . 0.0 109.58 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.1 149.19 28.54 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.39 18.91 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.041 -1.037 . . . . 0.0 108.314 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.89 144.35 19.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.72 136.62 37.0 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 122.199 1.0 . . . . 0.0 110.1 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.93 114.3 24.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.85 -4.28 19.4 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.889 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.85 85.78 Favored Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 119.693 -1.879 . . . . 0.0 110.593 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.5 -47.73 12.82 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 124.737 3.625 . . . . 0.0 114.104 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.4 ' HB3' ' CE1' ' C' ' 52' ' ' HIS . 94.8 m-20 -102.09 27.56 6.53 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 116.14 -2.224 . . . . 0.0 108.786 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.69 -119.82 11.74 Favored Glycine 0 N--CA 1.497 2.714 0 C-N-CA 117.683 -2.199 . . . . 0.0 109.573 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.1 tp -137.94 79.41 1.74 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.931 -1.334 . . . . 0.0 109.53 -177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.403 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.4 OUTLIER -86.67 179.27 6.82 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 117.87 -1.532 . . . . 0.0 112.221 -179.089 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.491 ' OG1' ' O3 ' ' D' ' 200' ' ' PO3 . 15.6 p -21.99 -67.31 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 -177.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.587 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.2 ttt-85 -49.45 -65.83 0.74 Allowed Pre-proline 0 N--CA 1.493 1.685 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.544 -176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.9 Cg_endo -64.65 -32.25 58.03 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.776 1.651 . . . . 0.0 111.529 177.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.84 86.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.176 -0.953 . . . . 0.0 109.514 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.67 72.5 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.97 -39.41 94.06 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 117.982 -1.487 . . . . 0.0 109.451 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.538 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.25 93.67 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.614 1.197 . . . . 0.0 108.739 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.73 -42.2 95.28 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.66 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -63.98 -40.24 95.93 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.23 -0.919 . . . . 0.0 109.716 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.66 80.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.397 -0.814 . . . . 0.0 109.552 177.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.12 -43.96 91.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.528 -1.357 . . . . 0.0 109.439 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.39 -16.18 43.9 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.58 86.11 Favored Glycine 0 N--CA 1.478 1.48 0 O-C-N 119.862 -1.773 . . . . 0.0 109.323 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.415 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.42 143.33 32.84 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.224 -1.75 . . . . 0.0 109.997 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.3 p -75.58 -30.08 59.52 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.142 -0.974 . . . . 0.0 112.358 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.73 158.56 10.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 119.832 -1.792 . . . . 0.0 112.799 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.03 130.21 35.28 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 102.846 -3.02 . . . . 0.0 102.846 171.245 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.61 136.6 60.34 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.403 0 CA-C-O 122.152 0.977 . . . . 0.0 109.302 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.417 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.4 m -124.97 143.29 50.97 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-O 123.181 1.467 . . . . 0.0 109.971 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.417 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.18 129.94 61.58 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.697 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 173.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 70.5 m -127.46 119.57 26.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.837 -1.165 . . . . 0.0 108.972 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.62 122.58 39.16 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.569 -0.707 . . . . 0.0 109.848 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.76 38.96 24.43 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.885 -1.134 . . . . 0.0 112.749 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.87 83.69 Favored Glycine 0 N--CA 1.501 3.02 0 O-C-N 119.874 -1.766 . . . . 0.0 112.548 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.74 136.3 54.49 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.77 158.52 33.11 Favored 'General case' 0 C--N 1.274 -2.693 0 CA-C-O 123.798 1.761 . . . . 0.0 112.436 -176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.43 31.46 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.516 -2.129 . . . . 0.0 108.555 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.633 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.64 135.97 48.77 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.547 -2.02 . . . . 0.0 105.547 173.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.01 -6.76 47.63 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.699 -1.251 . . . . 0.0 110.718 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.633 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.52 13.03 31.37 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.666 -1.272 . . . . 0.0 109.396 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.6 t -133.13 104.21 6.39 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.177 0.989 . . . . 0.0 110.054 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.9 tp -57.28 -37.95 73.17 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.954 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -58.86 -51.36 70.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.588 -1.32 . . . . 0.0 113.08 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.34 70.34 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.606 -1.934 . . . . 0.0 109.236 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.85 -33.71 75.83 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 118.959 -1.097 . . . . 0.0 109.92 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.41 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.64 -10.5 52.78 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.656 -0.653 . . . . 0.0 109.874 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 43.1 p -89.82 -7.66 53.84 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 118.117 -1.433 . . . . 0.0 110.901 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.36 159.33 15.3 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.141 -0.974 . . . . 0.0 110.165 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.83 2.97 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.4 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.63 -1.512 . . . . 0.0 107.379 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 4.3 p -81.44 172.5 13.45 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 118.749 -1.181 . . . . 0.0 109.248 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.67 140.89 57.3 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.884 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.18 78.79 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.372 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.47 135.92 34.05 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.914 -1.345 . . . . 0.0 110.56 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.52 123.75 48.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.0 m -112.25 160.06 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 C-N-CA 117.377 -1.729 . . . . 0.0 110.565 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 90.6 m -108.87 128.33 54.82 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.493 -1.38 . . . . 0.0 107.593 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.86 121.42 60.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.24 50.7 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.34 47.15 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 118.538 -1.265 . . . . 0.0 109.772 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.517 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.12 110.8 6.45 Favored 'General case' 0 C--N 1.287 -2.145 0 C-N-CA 118.613 -1.235 . . . . 0.0 108.061 178.203 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.33 40.11 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.02 -2.038 . . . . 0.0 110.404 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.62 82.56 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 114.452 -0.874 . . . . 0.0 112.187 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.07 36.87 3.51 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 118.925 -2.36 . . . . 0.0 108.553 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.46 -33.46 65.94 Favored 'General case' 0 N--CA 1.523 3.199 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 -174.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -45.67 27.09 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.607 -1.933 . . . . 0.0 110.982 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.775 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.71 97.82 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.55 77.46 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.499 -1.68 . . . . 0.0 110.023 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.79 -42.25 89.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 CA-C-O 122.229 1.014 . . . . 0.0 109.299 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.91 -47.83 76.75 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-O 122.019 0.914 . . . . 0.0 108.752 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.775 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.8 -38.36 76.59 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.673 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.64 -28.64 58.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.383 -1.448 . . . . 0.0 110.842 -174.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.48 71.3 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.452 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.3 62.85 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.25 -45.16 84.23 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.519 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.4 -37.39 85.61 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.899 -1.125 . . . . 0.0 111.506 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.8 61.65 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.097 -1.002 . . . . 0.0 110.275 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.84 -32.35 46.06 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.555 -0.715 . . . . 0.0 111.327 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.11 125.52 12.43 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 124.314 2.007 . . . . 0.0 112.856 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.889 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 75.0 mm-40 . . . . . 0 C--N 1.276 -2.59 0 CA-C-N 111.144 -2.753 . . . . 0.0 110.13 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.574 ' O3 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.21 137.83 58.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 6' ' ' GLU . 96.8 mt-10 -61.28 134.17 56.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.424 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 3' ' ' GLU . 99.8 mt -37.39 -36.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.88 -46.21 82.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.893 0.378 . . . . 1.94 110.303 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.3 tt0 -68.27 -36.24 79.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.218 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.83 -42.42 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.431 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.2 t -61.16 -44.12 97.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.939 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -58.87 -42.29 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.427 -0.583 . . . . 1.04 109.427 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.57 98.5 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.4 -43.09 98.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.269 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.446 HG12 ' HD1' ' A' ' 80' ' ' HIS . 97.6 mt -63.09 -44.35 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 1.05 109.762 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.7 -43.87 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.964 -0.562 . . . . 1.02 109.99 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -60.83 -46.19 91.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.786 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -59.47 -44.38 93.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.967 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.47 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -62.68 -41.7 99.79 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.4 mm-40 -63.27 -43.54 97.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.76 80.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.923 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -61.33 -46.59 89.63 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.511 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.6 p -55.43 -44.24 76.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.28 -41.58 98.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.705 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.94 77.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.69 -40.06 86.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.585 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.17 94.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.736 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.44 90.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.669 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.53 -45.35 94.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.483 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.7 -42.13 74.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.9 -42.22 93.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.773 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.8 93.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.71 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.61 -30.02 69.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.178 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -83.01 -5.14 58.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.419 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.24 18.18 67.5 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -99.24 79.6 2.34 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.81 0.338 . . . . 0.0 110.267 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.02 -33.83 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.632 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.49 79.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.079 0.466 . . . . 0.0 110.778 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.59 81.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -48.31 80.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.549 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.89 -42.22 98.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.618 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.743 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.1 mtt -65.41 -42.25 92.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.516 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.85 -41.62 97.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.693 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.23 -46.72 87.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.599 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.07 -41.16 99.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.234 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -60.58 -45.63 93.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -61.0 -42.51 98.6 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.12 -43.93 98.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.164 0.507 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.19 99.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.221 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.52 -39.82 92.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.94 -41.58 96.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.308 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.74 -40.3 91.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.231 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.76 83.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.474 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -62.51 -38.17 88.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.13 110.376 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 mt -60.78 -44.64 96.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.21 -43.23 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.026 0.441 . . . . 0.0 109.976 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.43 HE21 HD21 ' A' ' 74' ' ' LEU . 64.6 tp60 -59.99 -43.34 95.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.242 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 m -56.84 -42.4 79.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 1.03 110.05 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.26 -40.51 94.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.451 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.62 -39.21 84.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.751 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.23 -39.52 79.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 1.01 110.867 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -81.1 -13.33 58.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.503 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.96 -20.59 27.91 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -94.76 -25.45 16.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.843 0.354 . . . . 0.0 110.606 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.26 89.08 5.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.466 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.34 179.26 36.1 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -69.21 118.45 12.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.837 0.351 . . . . 0.0 110.698 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.07 -0.29 83.79 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -103.46 149.43 24.84 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.679 0.276 . . . . 0.0 110.405 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -71.0 140.1 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -87.98 -9.15 54.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.949 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -106.14 125.79 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.736 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.569 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 86.4 p -131.48 163.81 27.15 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 178.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.0 -45.35 83.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.61 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.45 -47.14 87.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 110.52 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.569 ' H ' ' HG ' ' A' ' 71' ' ' SER . 83.9 mt -63.72 -41.64 98.04 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 120.994 0.426 . . . . 1.03 110.95 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.8 t -60.53 -47.77 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.79 -0.641 . . . . 1.12 110.122 -178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.44 ' HD1' ' CG1' ' C' ' 70' ' ' VAL . 1.4 t60 -59.43 -45.67 90.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.759 0.314 . . . . 0.0 110.328 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.3 96.11 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.477 -0.329 . . . . 1.01 110.65 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.534 ' NE2' ' NE2' ' B' ' 80' ' ' HIS . 58.6 tt0 -63.23 -40.12 96.54 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.89 110.139 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.25 -44.91 84.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.37 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.635 ' CE1' ' O2 ' ' D' ' 200' ' ' PO3 . 61.5 m170 -67.19 -47.34 71.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.295 -0.411 . . . . 0.13 110.738 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.31 -45.77 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.752 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.83 -43.93 97.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.163 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.2 p -64.48 -48.54 74.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.099 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.07 -49.09 77.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.43 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.54 -48.31 79.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.691 0.282 . . . . 0.0 110.545 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.65 -44.98 95.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.113 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.64 84.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -58.0 -45.74 86.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.084 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.39 -43.53 98.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.041 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.55 -43.05 95.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.175 0.512 . . . . 0.0 109.832 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.41 HD11 HG23 ' A' ' 91' ' ' ILE . 77.2 mt -59.9 -42.09 88.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.0 m -57.87 -45.18 86.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.72 -43.97 94.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.566 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 82.6 mt -59.14 -43.68 92.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.41 -42.71 94.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.56 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -61.18 -39.11 88.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.6 -41.62 99.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.948 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.0 m80 -59.76 -40.18 87.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 102' ' ' LYS . 84.0 tt0 -62.5 -40.12 95.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.163 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.13 -39.47 94.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.21 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.03 -42.62 97.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' GLU . 88.6 tttt -90.32 131.95 35.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.593 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.54 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.33 137.58 58.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 6' ' ' GLU . 96.8 mt-10 -61.2 134.28 56.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.431 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' B' ' 3' ' ' GLU . 99.3 mt -37.62 -36.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.489 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.09 -46.07 82.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 1.94 110.383 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.2 tt0 -68.09 -36.06 79.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.238 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.08 -42.59 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.321 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.2 t -61.14 -44.1 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.896 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.8 -42.27 88.71 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.482 -0.562 . . . . 1.05 109.482 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.42 -41.36 98.08 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.38 -43.13 98.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 110.375 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.428 HG12 ' HD1' ' B' ' 80' ' ' HIS . 97.1 mt -63.15 -44.33 99.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.042 -0.526 . . . . 1.08 109.641 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.55 -44.21 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.916 -0.584 . . . . 1.02 109.916 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.403 ' C ' ' OD1' ' B' ' 14' ' ' ASN . 51.6 t-20 -60.82 -46.06 92.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.96 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -59.11 -44.43 91.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.091 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.66 99.84 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.3 mm-40 -63.0 -43.66 98.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.86 80.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.951 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -61.23 -46.55 89.97 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 79.5 p -55.63 -44.04 76.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.2 -41.74 98.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.733 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.08 -48.69 77.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.91 -40.1 87.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.663 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.12 93.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.675 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.99 90.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.641 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.84 -45.42 93.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.351 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.87 -41.56 74.57 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.44 -41.89 94.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.901 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.7 94.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.721 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.66 -30.34 69.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.081 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -82.92 -4.82 58.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.449 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.96 18.02 68.55 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -99.04 79.78 2.39 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.804 0.335 . . . . 0.0 110.365 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.32 -33.87 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.598 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.45 79.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.031 0.443 . . . . 0.0 110.781 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.34 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.378 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.17 80.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.579 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.74 -42.42 98.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.572 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.41 98.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.689 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 62.6 mtt -65.39 -42.36 92.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.61 -41.93 98.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -62.19 -46.6 88.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.436 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.05 -41.15 99.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.299 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.2 m -60.66 -45.59 93.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.473 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -61.22 -42.28 98.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.282 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 54.1 ttp -60.98 -44.2 97.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.346 0.593 . . . . 0.0 110.665 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.11 98.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.171 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.76 -39.51 91.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.726 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.04 -41.83 97.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.386 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.59 -40.59 92.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.103 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.33 84.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.49 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -61.96 -38.15 87.42 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.13 110.332 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.94 -44.43 97.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.341 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.52 -43.05 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.987 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.429 HE21 HD21 ' B' ' 74' ' ' LEU . 63.9 tp60 -60.06 -43.03 95.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.265 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.4 m -56.97 -42.63 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 1.03 109.994 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.06 -40.47 93.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.942 0.401 . . . . 0.0 110.548 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.95 -38.71 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.66 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.75 -39.63 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.142 -0.481 . . . . 1.01 110.779 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -80.98 -13.58 58.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.544 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.31 -20.96 28.49 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -94.82 -25.33 16.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.524 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.4 88.98 5.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.394 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.4 179.09 35.94 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -69.08 118.62 12.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.62 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.79 0.26 84.29 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.91 149.26 25.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.66 0.267 . . . . 0.0 110.447 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -71.07 140.61 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -88.55 -8.45 54.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.6 t -107.37 125.47 63.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.57 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 99.2 p -130.9 165.72 22.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.57 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.49 -45.52 91.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.517 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.12 -46.24 94.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.608 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.57 ' H ' ' HG ' ' B' ' 71' ' ' SER . 83.1 mt -64.37 -41.43 96.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 1.03 110.978 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 50.8 t -60.58 -47.2 93.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.79 -0.641 . . . . 1.12 110.3 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.598 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 11.8 t-160 -59.25 -46.65 87.94 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.849 -0.341 . . . . 2.11 110.297 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.61 97.41 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.913 0.387 . . . . 1.01 110.479 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.541 ' NE2' ' NE2' ' C' ' 80' ' ' HIS . 58.5 tt0 -62.66 -41.0 98.83 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.072 -0.513 . . . . 1.89 110.239 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 51.1 tp -56.83 -44.85 82.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.417 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.598 ' CE1' ' NE2' ' B' ' 76' ' ' HIS . 59.7 m170 -67.1 -47.26 71.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.375 -0.375 . . . . 0.14 110.751 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.36 -45.91 92.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -62.72 -43.64 98.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.189 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.7 p -64.81 -48.33 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.151 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.02 -49.16 77.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -57.72 -48.27 80.06 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.376 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.68 -44.97 95.94 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.088 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.71 84.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.885 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.05 -45.56 86.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.272 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.47 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.143 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.85 -42.57 94.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 0.0 109.96 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . 0.409 HG23 HD11 ' B' ' 91' ' ' ILE . 78.0 mt -60.3 -42.38 90.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.204 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.7 m -57.52 -44.89 85.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.091 0.472 . . . . 0.0 109.915 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.98 -43.81 94.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.474 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 83.1 mt -59.33 -43.62 92.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.45 -42.93 95.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.574 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -60.46 -39.83 89.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.721 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.25 -42.3 99.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.842 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.0 m80 -59.06 -40.06 83.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 102' ' ' LYS . 83.6 tt0 -62.72 -39.99 95.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.048 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.33 -39.24 93.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.99 -42.67 97.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.384 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' B' ' 99' ' ' GLU . 88.6 tttt -90.63 131.39 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.62 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.22 137.69 58.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.607 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.8 mt-10 -61.36 134.45 56.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.401 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' C' ' 3' ' ' GLU . 99.5 mt -37.7 -36.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.403 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.02 -46.14 82.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.347 . . . . 1.94 110.373 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' C' ' 3' ' ' GLU . 81.6 tt0 -68.31 -36.06 78.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.318 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 70.7 t -63.83 -42.65 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.346 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 80.5 t -61.05 -44.24 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.016 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.74 -42.23 88.33 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.587 -0.523 . . . . 1.05 109.587 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.57 98.4 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.3 -43.27 98.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.957 0.408 . . . . 0.0 110.457 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.423 HG12 ' HD1' ' C' ' 80' ' ' HIS . 97.7 mt -62.9 -44.59 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.558 . . . . 1.09 109.677 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.413 HD11 HG21 ' C' ' 13' ' ' ILE . 91.1 mt -63.25 -43.92 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 1.02 110.064 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -61.03 -46.09 92.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.796 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.34 -43.98 92.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.18 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.81 99.62 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . 0.516 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.3 mm-40 -63.11 -43.28 98.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.38 78.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.786 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -60.45 -47.19 87.2 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.516 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 80.8 p -54.85 -44.47 73.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.06 -41.86 98.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.701 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.83 77.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -59.64 -40.41 87.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.532 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.98 93.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.699 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.5 90.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.566 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.45 -45.7 93.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.411 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.47 -41.96 73.69 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.14 -41.89 93.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.969 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.5 94.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.788 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.86 -29.88 69.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.13 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -83.25 -4.92 58.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.474 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.25 18.1 67.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -99.37 79.51 2.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.75 0.31 . . . . 0.0 110.284 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.02 -34.17 77.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.558 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.39 80.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 0.0 110.685 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.7 -35.2 80.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.417 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.73 -48.31 79.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.467 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.67 -42.75 99.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.61 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.29 99.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.742 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.5 mtt -65.68 -42.16 91.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.06 -41.27 97.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.668 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.64 -46.98 85.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.428 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.55 -41.68 99.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.303 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.6 m -60.15 -45.76 91.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.469 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -61.03 -42.42 98.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.369 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 54.3 ttp -61.06 -43.93 98.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.88 98.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.96 -39.56 90.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.729 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.14 -41.91 97.59 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.319 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.58 -40.36 92.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.029 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.02 84.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.447 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.553 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 85.3 t60 -62.31 -38.04 87.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.14 110.322 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.11 -44.19 97.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.311 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.56 -42.92 94.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.023 0.44 . . . . 0.0 109.959 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.443 HE21 HD21 ' C' ' 74' ' ' LEU . 63.5 tp60 -60.07 -43.68 95.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.257 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 15.5 m -56.56 -42.81 79.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 1.03 110.113 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.99 -40.49 93.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.468 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.56 -38.94 84.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.8 -39.48 77.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 1.01 110.84 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.596 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 79.3 mm-40 -81.08 -13.26 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.97 -20.38 28.5 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -95.09 -25.41 16.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.511 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.45 89.1 5.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.435 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.49 179.36 35.95 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -69.42 118.84 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.819 0.342 . . . . 0.0 110.583 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.55 0.21 83.32 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.75 149.38 25.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.65 0.262 . . . . 0.0 110.543 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 67.1 mtt -71.18 140.9 50.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.549 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -88.88 -8.54 54.08 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.44 ' CG1' ' HD1' ' A' ' 76' ' ' HIS . 18.2 t -106.93 124.94 62.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.774 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.557 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 97.6 p -129.58 167.96 17.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.496 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 41.5 mt -61.18 -44.57 97.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.685 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.47 -46.77 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 130.179 3.392 . . . . 0.0 110.604 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.557 ' H ' ' HG ' ' C' ' 71' ' ' SER . 78.4 mt -66.52 -40.93 89.42 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.207 -0.451 . . . . 1.03 110.924 178.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 51.6 t -61.07 -47.95 91.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.792 -0.64 . . . . 1.13 110.147 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.595 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 11.8 t-160 -59.1 -46.48 88.19 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.891 -0.324 . . . . 1.96 110.274 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.25 96.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.908 0.385 . . . . 1.01 110.477 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.576 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 58.5 tt0 -62.92 -40.7 98.4 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.241 -0.436 . . . . 1.89 110.232 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 50.1 tp -56.96 -45.02 83.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.444 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.595 ' CE1' ' NE2' ' C' ' 76' ' ' HIS . 58.7 m170 -67.05 -47.08 72.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.323 -0.399 . . . . 0.13 110.69 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.67 -45.8 92.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.8 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -62.67 -43.49 98.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.393 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.5 p -65.01 -48.43 73.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.167 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -61.85 -49.38 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.603 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.46 -48.39 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.484 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.54 -44.96 96.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.2 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.11 -47.95 83.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.97 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -57.69 -45.83 85.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.218 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -61.06 -43.71 98.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.912 0.387 . . . . 0.0 110.153 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.61 -42.89 95.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.084 0.469 . . . . 0.0 109.996 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.91 -42.26 88.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.347 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 78.4 m -57.64 -45.08 85.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.107 0.479 . . . . 0.0 110.027 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.8 -43.71 95.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.459 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 82.2 mt -59.52 -43.67 93.37 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.17 -43.03 95.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.551 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -60.52 -39.85 89.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.721 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.01 -42.23 98.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.91 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 69.9 m80 -59.19 -40.09 84.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.707 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.3 tt0 -62.77 -39.83 95.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.116 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.33 -39.14 93.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.187 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.39 -42.66 96.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' C' ' 99' ' ' GLU . 88.6 tttt -90.58 131.35 36.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.498 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.533 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.512 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.856 0.836 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 143.02 36.72 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.02 156.34 38.61 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.014 -1.054 . . . . 0.0 109.501 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.22 28.51 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.92 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.009 -1.057 . . . . 0.0 108.379 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.3 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.67 136.57 37.0 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 122.183 0.992 . . . . 0.0 110.133 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.96 114.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -107.0 -4.21 19.26 Favored 'General case' 0 C--N 1.265 -3.079 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.898 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.59 141.84 85.63 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 119.739 -1.85 . . . . 0.0 110.59 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -45.54 -47.64 13.02 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 124.771 3.648 . . . . 0.0 114.131 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.553 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 98.3 m-20 -102.11 27.5 6.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 116.066 -2.254 . . . . 0.0 108.702 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.0 -130.17 32.85 Favored Glycine 0 N--CA 1.497 2.731 0 C-N-CA 117.702 -2.19 . . . . 0.0 109.599 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.9 tp -122.87 76.03 1.33 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.954 -1.321 . . . . 0.0 109.495 -176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -81.87 175.82 10.09 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 117.957 -1.497 . . . . 0.0 112.128 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.713 ' HG1' ' H ' ' D' ' 317' ' ' ARG . 47.9 p -24.24 -70.68 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.255 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -176.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.713 ' H ' ' HG1' ' D' ' 316' ' ' THR . 8.1 ttt-85 -44.84 -64.81 0.75 Allowed Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.525 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.69 -32.06 57.99 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.031 1.821 . . . . 0.0 111.466 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.06 -38.83 86.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.223 -0.923 . . . . 0.0 109.489 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.7 72.28 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.89 -39.43 94.17 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.031 -1.468 . . . . 0.0 109.496 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.534 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.7 -45.3 93.4 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.583 1.182 . . . . 0.0 108.681 -177.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.72 -42.19 95.23 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.267 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.639 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -63.89 -40.32 96.24 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.327 -0.858 . . . . 0.0 109.762 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.468 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.74 -39.76 80.18 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.503 -0.748 . . . . 0.0 109.525 177.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.02 91.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.637 -1.29 . . . . 0.0 109.455 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.32 -16.08 42.27 Favored 'General case' 0 N--CA 1.511 2.587 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.01 -10.51 86.22 Favored Glycine 0 N--CA 1.478 1.439 0 O-C-N 119.896 -1.753 . . . . 0.0 109.351 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.416 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.49 143.3 32.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.258 -1.731 . . . . 0.0 110.045 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.57 -30.09 59.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.249 -0.907 . . . . 0.0 112.32 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.55 10.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 119.826 -1.796 . . . . 0.0 112.802 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.36 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 171.248 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.2 mt -126.67 136.61 60.3 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.486 0 CA-C-O 122.211 1.005 . . . . 0.0 109.334 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.411 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.0 m -124.96 143.2 51.01 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-O 123.097 1.427 . . . . 0.0 109.912 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.411 ' N ' HG23 ' D' ' 334' ' ' THR . 84.9 t -108.18 129.91 61.64 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.721 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 173.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.4 119.57 26.48 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.791 -1.193 . . . . 0.0 108.956 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.6 39.25 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.58 -0.7 . . . . 0.0 109.917 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.97 24.32 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.877 -1.139 . . . . 0.0 112.767 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.7 10.98 83.54 Favored Glycine 0 N--CA 1.501 2.976 0 O-C-N 119.921 -1.737 . . . . 0.0 112.5 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.77 158.54 33.06 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-O 123.791 1.758 . . . . 0.0 112.453 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.37 31.41 Favored 'General case' 0 C--N 1.278 -2.534 0 CA-C-N 112.515 -2.13 . . . . 0.0 108.575 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.634 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.64 136.05 48.83 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.06 -6.69 47.27 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.751 -1.218 . . . . 0.0 110.755 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.634 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.58 13.09 31.3 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.664 -1.273 . . . . 0.0 109.384 -177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 69.0 m -133.09 104.23 6.42 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 122.206 1.003 . . . . 0.0 110.12 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.28 -37.96 73.19 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.902 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -58.81 -51.47 69.88 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.554 -1.341 . . . . 0.0 113.062 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.43 70.6 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.597 -1.939 . . . . 0.0 109.206 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.75 -33.77 75.83 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.947 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.596 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.76 -10.34 51.83 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.622 -0.674 . . . . 0.0 109.95 -177.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.2 p -89.81 -7.76 53.63 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 118.129 -1.428 . . . . 0.0 110.884 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.37 159.32 15.31 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.182 -0.949 . . . . 0.0 110.153 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.64 104.84 2.96 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.4 mt -119.56 47.39 1.72 Allowed 'General case' 0 C--N 1.309 -1.166 0 O-C-N 120.64 -1.506 . . . . 0.0 107.417 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 5.0 p -81.46 172.51 13.43 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.211 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.67 140.87 57.31 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.847 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.19 78.78 Favored Glycine 0 N--CA 1.501 2.988 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.328 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.47 135.87 34.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.896 -1.355 . . . . 0.0 110.625 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.7 t -96.47 123.71 48.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.23 160.08 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.388 -1.725 . . . . 0.0 110.606 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.2 m -108.92 128.29 54.8 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.487 -1.383 . . . . 0.0 107.597 175.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.74 121.44 60.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 176.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.29 50.72 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.596 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.44 47.16 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 118.526 -1.27 . . . . 0.0 109.786 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.84 6.45 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 118.529 -1.269 . . . . 0.0 108.049 178.204 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.16 -170.4 40.13 Favored Glycine 0 C--N 1.296 -1.676 0 C-N-CA 118.015 -2.041 . . . . 0.0 110.327 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.34 -40.52 82.39 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-N 114.351 -0.924 . . . . 0.0 112.257 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.08 36.76 3.56 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 115.877 -2.329 . . . . 0.0 108.572 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.56 65.73 Favored 'General case' 0 N--CA 1.522 3.139 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.409 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.96 -45.62 26.92 Favored 'General case' 0 N--CA 1.51 2.54 0 O-C-N 119.566 -1.959 . . . . 0.0 110.923 -176.514 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.7 97.73 Favored 'General case' 0 C--N 1.283 -2.297 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.44 77.85 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 117.486 -1.686 . . . . 0.0 110.04 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.0 t -66.9 -42.14 88.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-O 122.241 1.019 . . . . 0.0 109.282 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.86 -47.96 76.39 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.112 0.958 . . . . 0.0 108.751 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.7 -38.37 76.93 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.727 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.2 mt -75.65 -28.57 58.81 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.345 -1.472 . . . . 0.0 110.9 -174.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.46 70.95 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.26 62.89 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.468 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.3 -45.14 84.47 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.484 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.48 -37.25 85.22 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.866 -1.146 . . . . 0.0 111.53 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.88 61.59 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.056 -1.027 . . . . 0.0 110.242 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.77 -32.28 46.49 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.49 -0.756 . . . . 0.0 111.422 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 125.53 12.53 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.364 2.031 . . . . 0.0 112.846 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.898 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.9 mm-40 . . . . . 0 C--N 1.278 -2.54 0 CA-C-N 111.121 -2.763 . . . . 0.0 110.156 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.635 ' O2 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.72 -39.07 87.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.528 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.2 mt-10 -61.03 -72.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.462 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' GLU . 97.4 mt -38.63 -38.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.452 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -63.68 -49.01 74.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.864 0.364 . . . . 1.94 110.229 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 3' ' ' GLU . 79.4 mm-40 -67.0 -37.36 84.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.29 -42.32 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.349 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.18 -46.18 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.937 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -59.47 -41.07 88.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.487 -0.56 . . . . 1.04 109.487 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.74 -42.57 97.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.69 -43.35 99.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.199 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.93 -44.22 99.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 1.05 109.803 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.07 -44.25 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.926 -0.579 . . . . 1.02 109.968 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -61.35 -47.21 86.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.777 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.61 -44.04 93.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.997 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.616 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.44 -42.89 98.91 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.04 -42.44 99.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -49.09 78.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.846 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.43 -46.55 89.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.511 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 65.0 m -54.88 -44.12 73.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.06 -42.53 99.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.703 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.92 75.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -59.47 -42.83 92.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.62 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.15 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.716 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.92 85.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.696 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.31 -44.76 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.429 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -55.89 -41.87 75.13 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.44 -40.88 96.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.827 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.55 95.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.774 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.9 -29.07 69.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.093 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.28 -4.81 54.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.47 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.7 14.04 71.26 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.7 79.85 2.74 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 110.294 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -64.71 -34.94 79.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.703 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.12 80.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.083 0.468 . . . . 0.0 110.735 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.47 80.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.321 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.84 81.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.557 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.24 -42.38 99.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.629 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.43 99.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.793 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -65.34 -40.17 93.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.479 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.402 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 91.2 mmm -64.1 -40.6 96.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.91 -43.82 98.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 110.547 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.44 -41.57 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.202 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -60.58 -45.79 92.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.61 ' NH2' HH12 ' A' ' 88' ' ' ARG . 63.1 ttm-85 -60.03 -42.68 94.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.336 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.5 ttp -60.38 -43.04 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.176 0.513 . . . . 0.0 110.633 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.96 98.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.218 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.75 -39.54 91.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.694 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -61.47 -41.88 97.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.288 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.56 -39.93 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.199 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.78 -44.11 78.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.402 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.98 -39.28 89.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.13 110.399 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.66 -44.2 96.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.6 t -64.31 -43.41 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.053 0.454 . . . . 0.0 110.082 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.401 HE22 HD23 ' A' ' 74' ' ' LEU . 66.8 tp60 -59.7 -43.38 94.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.235 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -55.06 -44.59 74.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.047 0.451 . . . . 1.03 110.086 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.95 -41.43 96.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.537 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.85 -38.7 86.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.659 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.436 HD12 HG22 ' A' ' 59' ' ' ILE . 95.7 mt -66.08 -40.43 87.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.52 . . . . 1.01 110.847 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -71.59 -30.95 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.444 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.71 -13.76 71.88 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 64' ' ' GLY . 67.7 t0 -106.44 -33.42 7.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.609 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ASP . . . -39.16 94.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -73.21 131.54 15.2 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' A' ' 67' ' ' LYS . 80.3 tt0 -69.82 119.03 13.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.682 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.91 -8.99 1.58 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 65' ' ' GLU . 58.7 mttp -105.48 -164.94 1.07 Allowed 'General case' 0 C--N 1.333 -0.118 0 O-C-N 122.731 -0.276 . . . . 0.0 110.438 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtm -59.83 143.53 50.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.613 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' NZ ' ' CG1' ' B' ' 8' ' ' VAL . 53.4 mtmt -60.2 -88.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 71' ' ' SER . 33.7 m -94.29 -142.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.707 -179.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 70' ' ' VAL . 68.2 p -134.62 168.48 18.91 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.8 tt -57.28 -44.43 83.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.63 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.77 -46.94 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.9 0.381 . . . . 0.0 110.577 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.401 HD23 HE22 ' A' ' 55' ' ' GLN . 93.9 mt -62.13 -38.81 90.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.016 0.436 . . . . 1.03 110.891 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.01 -46.17 87.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.762 -0.654 . . . . 1.12 110.163 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -58.25 -43.98 88.13 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.348 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.6 98.09 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.794 0.331 . . . . 1.01 110.657 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.568 ' OE1' ' CD2' ' B' ' 76' ' ' HIS . 56.9 tt0 -60.67 -39.58 88.91 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.195 -0.457 . . . . 1.89 110.187 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.9 tp -55.23 -45.8 75.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.462 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.61 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 69.7 m-70 -66.46 -46.03 77.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.239 -0.437 . . . . 0.13 110.739 179.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.42 -46.14 91.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.815 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.12 -43.83 98.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.212 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 23.4 p -61.48 -44.8 96.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.102 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.41 -49.57 74.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.495 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.0 ttp -57.34 -49.0 77.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.521 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.46 -44.94 95.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.146 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.17 85.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.846 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.61 HH12 ' NH2' ' A' ' 45' ' ' ARG . 71.5 ttp85 -58.38 -45.96 87.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.183 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -61.42 -43.92 98.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.08 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.73 -41.95 97.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.12 0.485 . . . . 0.0 109.843 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.0 mt -59.21 -41.01 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.251 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.402 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.2 m -56.89 -45.18 82.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.22 -43.85 96.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.568 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.46 -42.98 93.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.402 HD12 HG23 ' A' ' 95' ' ' ILE . 93.3 mt -61.71 -42.69 95.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.5 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.27 -39.32 92.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.86 -41.32 99.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.834 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -59.78 -40.56 88.7 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.98 -39.29 89.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.152 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.31 -35.91 82.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.269 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt -81.07 -2.71 49.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.449 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 56.58 23.03 7.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.554 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.527 179.844 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.83 -39.01 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.629 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 4' ' ' LEU . 97.4 mt-10 -61.06 -72.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.409 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.6 mt -38.69 -37.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -63.88 -49.0 74.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 1.94 110.337 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' B' ' 3' ' ' GLU . 79.6 mm-40 -66.83 -37.46 84.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.215 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.24 -42.57 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.407 ' CG1' ' NZ ' ' A' ' 69' ' ' LYS . 53.5 t -59.99 -45.95 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.878 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.79 -40.65 89.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.565 -0.531 . . . . 1.05 109.565 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.22 -42.64 96.22 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.54 -43.29 99.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.788 0.327 . . . . 0.0 110.376 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.417 HD12 HG23 ' B' ' 12' ' ' ILE . 90.9 mt -63.22 -44.35 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 1.08 109.696 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.77 -44.31 98.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 1.02 109.893 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -61.53 -46.72 88.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.858 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.3 t -59.97 -43.99 94.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.082 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.56 -42.51 98.84 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.27 -42.53 99.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.9 79.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.921 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.66 -46.39 90.5 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.4 m -54.86 -43.83 73.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.41 -42.67 98.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.691 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -59.75 -42.76 93.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.692 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.96 91.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.702 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.67 86.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.589 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.2 -45.13 95.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.328 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -55.86 -41.63 74.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.76 -40.95 96.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.882 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.74 95.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.75 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.75 -29.32 70.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.099 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.28 -4.55 53.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.401 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.64 13.62 72.41 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -97.26 80.01 2.87 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.784 0.326 . . . . 0.0 110.358 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -65.03 -34.88 79.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.645 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.45 79.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.052 0.453 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.14 79.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.415 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.96 80.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.512 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.11 -42.58 99.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.81 0.338 . . . . 0.0 110.587 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.81 99.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.1 -40.71 94.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.493 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.402 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 91.2 mmm -63.41 -40.77 98.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.88 -43.84 98.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.16 -41.75 99.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.306 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -60.56 -45.9 92.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.477 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.597 ' NH2' HH12 ' B' ' 88' ' ' ARG . 63.0 ttm-85 -59.81 -43.01 94.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.282 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 51.8 ttp -60.06 -43.18 95.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.249 0.547 . . . . 0.0 110.669 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.77 98.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.192 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.05 -39.79 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.714 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.9 -42.16 97.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.341 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.61 -39.97 94.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.116 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.25 78.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.478 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -61.0 -39.33 89.31 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.13 110.268 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.56 -44.61 95.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.96 -43.64 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.999 0.428 . . . . 0.0 109.945 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.404 HE22 HD23 ' B' ' 74' ' ' LEU . 66.9 tp60 -59.58 -43.3 93.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.264 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -55.29 -44.69 75.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 1.03 109.932 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.78 -41.41 95.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.917 0.389 . . . . 0.0 110.513 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.97 -38.26 85.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.4 -40.34 86.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.085 -0.507 . . . . 1.01 110.692 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.82 -30.77 65.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.81 -13.62 71.93 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' B' ' 64' ' ' GLY . 67.7 t0 -106.81 -33.07 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.619 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' B' ' 62' ' ' ASP . . . -39.63 94.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.452 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . -73.17 131.88 15.82 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.529 ' C ' ' H ' ' B' ' 67' ' ' LYS . 80.7 tt0 -70.08 119.33 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.586 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.8 -8.87 1.57 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' B' ' 65' ' ' GLU . 58.4 mttp -105.63 -164.86 1.06 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.711 0.291 . . . . 0.0 110.428 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.6 mtm -60.02 143.61 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.613 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.423 ' NZ ' ' CG1' ' C' ' 8' ' ' VAL . 53.1 mtmt -60.27 -88.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -92.82 -143.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 86.5 p -134.57 169.78 16.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.481 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.74 -43.94 94.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.574 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.13 -46.82 95.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.575 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.404 HD23 HE22 ' B' ' 55' ' ' GLN . 94.9 mt -61.99 -38.36 88.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 1.03 110.957 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.19 -46.22 88.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.825 -0.625 . . . . 1.12 110.293 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.568 ' CD2' ' OE1' ' A' ' 78' ' ' GLN . 59.4 t-80 -58.55 -43.67 89.38 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.809 -0.356 . . . . 2.11 110.251 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.21 97.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.847 0.356 . . . . 1.01 110.404 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.59 ' OE1' ' CD2' ' C' ' 76' ' ' HIS . 57.2 tt0 -61.11 -39.36 89.71 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.89 110.229 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 tp -55.68 -45.51 77.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.401 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.444 ' O ' ' OG1' ' B' ' 83' ' ' THR . 69.5 m-70 -66.62 -45.66 78.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.366 -0.379 . . . . 0.14 110.739 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.69 -46.53 89.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -60.46 -44.1 96.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.245 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 22.6 p -61.41 -44.68 96.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.49 -49.27 76.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.599 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 64.9 ttp -57.62 -48.77 78.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.429 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.67 -44.65 96.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.058 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.16 -46.49 88.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.879 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.597 HH12 ' NH2' ' B' ' 45' ' ' ARG . 71.8 ttp85 -58.67 -46.25 87.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.279 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -61.21 -43.89 98.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.184 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.82 -41.82 97.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.147 0.499 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.27 -40.92 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.237 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.402 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 17.7 m -56.91 -45.25 82.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.07 0.462 . . . . 0.0 109.889 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.33 -43.78 96.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.471 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.28 -43.37 92.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.41 -42.95 95.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.499 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -61.8 -40.01 93.74 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.3 -41.52 98.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.869 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -59.64 -40.44 87.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.25 -39.22 89.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.123 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.49 -35.54 81.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.189 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.7 mt -81.3 -3.19 51.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.363 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 56.88 23.18 7.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.491 179.802 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.8 -39.19 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' C' ' 4' ' ' LEU . 97.6 mt-10 -60.81 -72.11 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.422 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' C' ' 3' ' ' GLU . 97.4 mt -38.91 -37.82 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.414 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -63.81 -49.25 73.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.825 0.345 . . . . 1.94 110.36 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' C' ' 3' ' ' GLU . 79.5 mm-40 -66.6 -37.5 85.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.34 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.13 -42.37 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.406 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.423 ' CG1' ' NZ ' ' B' ' 69' ' ' LYS . 54.6 t -60.23 -45.98 95.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.982 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.72 -40.92 89.59 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.59 -0.522 . . . . 1.05 109.59 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.71 96.81 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.31 -43.46 98.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 0.0 110.361 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.08 -44.3 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 1.09 109.687 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.79 -44.19 98.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 1.02 110.013 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -61.51 -46.79 88.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.793 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.9 t -59.91 -44.12 94.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.183 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.55 -42.41 98.89 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -63.26 -42.78 99.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.97 78.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.778 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.69 -46.61 89.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.1 m -54.54 -44.11 72.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.23 -42.73 99.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.705 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.66 76.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.99 -42.86 95.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.551 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.17 91.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.722 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.01 86.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.632 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.91 -45.02 96.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.369 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -55.85 -41.72 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.84 -40.26 94.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.897 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.76 98.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.82 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.65 -29.09 69.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.046 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.23 -4.8 54.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.414 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.79 13.98 71.15 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -97.87 79.94 2.7 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.29 . . . . 0.0 110.286 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -64.99 -34.81 79.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.579 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.38 79.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.022 0.439 . . . . 0.0 110.665 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.73 -35.07 79.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.395 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.11 79.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.491 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.72 -43.02 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.615 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.74 99.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.711 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.8 mmm -64.97 -40.8 95.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.33 -40.97 98.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.74 -44.03 97.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.452 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.98 -41.68 99.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.306 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -60.78 -45.75 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.565 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.598 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.9 ttm-85 -60.02 -42.67 94.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.33 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 52.6 ttp -60.37 -43.08 96.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.349 0.595 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.15 98.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.349 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.69 -39.79 91.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.691 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -61.16 -42.11 97.96 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.402 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -64.25 -40.17 95.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.001 0.429 . . . . 0.0 110.038 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.23 79.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.421 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.91 -39.46 89.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.056 -0.52 . . . . 0.14 110.328 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.91 -44.13 97.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.317 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.07 -43.49 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.981 0.419 . . . . 0.0 110.017 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -59.75 -43.37 94.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -55.07 -44.73 75.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.408 . . . . 1.03 110.167 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.86 -41.2 95.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.886 0.374 . . . . 0.0 110.462 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.02 -38.57 86.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.409 HD12 HG22 ' C' ' 59' ' ' ILE . 95.5 mt -66.25 -40.18 86.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.975 -0.557 . . . . 1.01 110.829 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.2 mm-40 -71.92 -30.66 65.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.76 -13.84 71.55 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' C' ' 64' ' ' GLY . 68.0 t0 -106.81 -33.28 7.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.779 0.323 . . . . 0.0 110.443 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' C' ' 62' ' ' ASP . . . -39.45 94.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.495 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' C' ' 62' ' ' ASP . . . -73.21 132.02 16.0 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' C' ' 67' ' ' LYS . 80.6 tt0 -70.19 119.8 14.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.619 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.02 -8.32 1.32 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' C' ' 65' ' ' GLU . 58.6 mttp -105.91 -165.1 1.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.638 0.256 . . . . 0.0 110.603 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.03 143.91 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.647 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -60.56 -88.08 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 34.3 m -93.17 -144.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 86.0 p -133.39 172.1 13.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.544 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.22 -44.42 95.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.697 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.03 -46.65 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 130.1 3.36 . . . . 0.0 110.593 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.59 -37.72 88.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.057 0.456 . . . . 1.03 110.979 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.89 -46.63 91.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.793 -0.639 . . . . 1.13 110.169 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.59 ' CD2' ' OE1' ' B' ' 78' ' ' GLN . 59.7 t-80 -58.57 -44.03 89.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.895 -0.322 . . . . 1.96 110.316 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.04 98.38 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.932 0.396 . . . . 1.01 110.514 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.13 -39.81 91.43 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.159 -0.473 . . . . 1.89 110.236 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 39.7 tp -55.18 -45.94 75.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.485 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.443 ' O ' ' OG1' ' C' ' 83' ' ' THR . 70.0 m-70 -66.36 -45.81 78.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.364 -0.38 . . . . 0.13 110.742 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.41 -46.54 89.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.816 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -60.83 -43.29 98.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.368 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 22.6 p -62.13 -44.69 96.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.203 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -62.3 -49.5 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.24 -49.21 76.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.767 0.318 . . . . 0.0 110.514 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.46 -44.35 95.94 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.156 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.44 88.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.945 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.598 HH12 ' NH2' ' C' ' 45' ' ' ARG . 71.7 ttp85 -58.89 -46.12 88.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.189 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.04 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.164 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.57 -41.88 98.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.113 0.482 . . . . 0.0 110.026 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.0 -41.16 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.386 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 17.0 m -56.7 -45.39 81.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.096 0.474 . . . . 0.0 109.955 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.26 -43.7 97.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.533 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.21 -43.03 92.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.79 -42.78 95.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.531 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -61.79 -40.0 93.69 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.33 -41.69 98.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.856 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -59.39 -40.73 87.49 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.05 -39.42 89.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.12 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.17 -35.57 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.256 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt -81.41 -3.28 52.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.32 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 57.13 22.96 8.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.539 179.725 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.52 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.865 0.841 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.79 143.02 36.68 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 178.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.26 38.51 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.956 -1.09 . . . . 0.0 109.545 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.3 mm-40 -152.1 149.24 28.59 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.37 18.93 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.038 -1.039 . . . . 0.0 108.416 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.86 144.27 19.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.66 136.56 37.02 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 122.153 0.978 . . . . 0.0 110.155 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.95 114.29 24.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.91 -4.28 19.33 Favored 'General case' 0 C--N 1.265 -3.1 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.897 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.87 85.89 Favored Pre-proline 0 N--CA 1.499 2.0 0 O-C-N 119.633 -1.917 . . . . 0.0 110.614 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -45.53 -47.73 12.89 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 124.776 3.651 . . . . 0.0 114.085 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -102.1 27.57 6.52 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 116.075 -2.25 . . . . 0.0 108.837 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.85 -126.35 26.62 Favored Glycine 0 N--CA 1.496 2.691 0 C-N-CA 117.653 -2.213 . . . . 0.0 109.597 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.54 77.28 1.78 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.923 -1.339 . . . . 0.0 109.511 -176.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.24 176.97 8.02 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 117.852 -1.539 . . . . 0.0 112.109 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.513 ' CG2' ' O2 ' ' D' ' 200' ' ' PO3 . 13.5 p -21.76 -72.05 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.616 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.7 ttt-85 -44.4 -66.3 0.49 Allowed Pre-proline 0 N--CA 1.493 1.714 0 C-N-CA 120.136 -0.626 . . . . 0.0 112.542 -177.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.21 -32.19 62.96 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.55 1.5 . . . . 0.0 111.522 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.81 86.73 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.201 -0.937 . . . . 0.0 109.543 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.88 -39.75 72.67 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.91 -39.45 94.19 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 118.072 -1.451 . . . . 0.0 109.488 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.534 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.66 -45.38 93.09 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 122.607 1.194 . . . . 0.0 108.687 -177.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . 0.606 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.6 t -62.61 -42.22 95.14 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.693 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -63.97 -40.19 95.83 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.27 -0.894 . . . . 0.0 109.742 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.465 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.84 -39.62 79.83 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.401 -0.812 . . . . 0.0 109.541 178.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.02 91.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.611 -1.305 . . . . 0.0 109.44 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . 0.606 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.8 mttp -61.33 -16.22 43.77 Favored 'General case' 0 N--CA 1.512 2.637 0 O-C-N 121.321 -0.862 . . . . 0.0 113.278 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.54 86.14 Favored Glycine 0 N--CA 1.479 1.551 0 O-C-N 119.889 -1.757 . . . . 0.0 109.263 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.416 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.46 143.34 32.84 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.313 -1.698 . . . . 0.0 110.015 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.59 -30.12 59.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.234 -0.916 . . . . 0.0 112.365 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.67 158.49 10.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.791 -1.818 . . . . 0.0 112.821 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.2 35.35 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 102.888 -3.004 . . . . 0.0 102.888 171.2 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.7 136.64 60.21 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.424 0 CA-C-O 122.25 1.024 . . . . 0.0 109.258 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.418 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.98 143.18 51.03 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-O 123.121 1.438 . . . . 0.0 109.987 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.418 ' N ' HG23 ' D' ' 334' ' ' THR . 85.9 t -108.12 130.0 61.39 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 173.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.9 m -127.56 119.58 26.3 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.891 -1.131 . . . . 0.0 108.901 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.58 39.2 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.878 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.8 38.9 24.41 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.914 -1.116 . . . . 0.0 112.784 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 11.09 83.46 Favored Glycine 0 N--CA 1.503 3.11 0 O-C-N 119.968 -1.708 . . . . 0.0 112.526 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.92 136.23 54.59 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.77 158.51 33.15 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 123.786 1.755 . . . . 0.0 112.395 -175.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.36 31.33 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 112.457 -2.156 . . . . 0.0 108.592 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.639 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.53 136.01 49.01 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 173.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.05 -6.77 47.8 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.718 -1.239 . . . . 0.0 110.699 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.639 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.5 12.92 31.71 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.669 -1.269 . . . . 0.0 109.353 -177.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 67.1 m -133.05 104.12 6.37 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.151 0.977 . . . . 0.0 110.179 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.29 -37.77 72.95 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.941 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -59.0 -51.34 70.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.583 -1.323 . . . . 0.0 113.03 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.38 70.4 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 119.54 -1.975 . . . . 0.0 109.196 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.82 -33.73 75.84 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.959 -1.096 . . . . 0.0 109.948 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.509 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.65 -10.52 52.99 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.649 -0.657 . . . . 0.0 109.923 -177.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.6 p -89.72 -7.71 53.93 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 118.074 -1.451 . . . . 0.0 110.947 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.42 159.34 15.29 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.268 -0.895 . . . . 0.0 110.159 -178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.9 2.97 Favored Glycine 0 N--CA 1.484 1.861 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.57 47.3 1.74 Allowed 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.709 -1.465 . . . . 0.0 107.413 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 80.8 p -81.44 172.55 13.39 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 118.776 -1.169 . . . . 0.0 109.223 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.73 140.92 57.37 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.825 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.49 -3.2 78.77 Favored Glycine 0 N--CA 1.5 2.932 0 C-N-CA 120.031 -1.081 . . . . 0.0 111.368 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.44 135.91 34.07 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.849 -1.383 . . . . 0.0 110.625 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.58 123.69 48.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.11 160.05 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 C-N-CA 117.423 -1.711 . . . . 0.0 110.631 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.0 m -108.87 128.41 54.89 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 120.544 -1.348 . . . . 0.0 107.603 175.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.6 mt -107.87 121.41 60.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 176.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 364' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.61 147.23 50.71 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.722 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.81 6.43 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 118.6 -1.24 . . . . 0.0 108.029 178.151 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.3 40.13 Favored Glycine 0 C--N 1.295 -1.714 0 C-N-CA 118.007 -2.044 . . . . 0.0 110.385 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.35 -40.63 82.71 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.43 -0.885 . . . . 0.0 112.199 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.06 36.76 3.56 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 115.878 -2.329 . . . . 0.0 108.574 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.55 65.77 Favored 'General case' 0 N--CA 1.522 3.162 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -174.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -45.61 27.53 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 119.577 -1.952 . . . . 0.0 110.972 -176.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.769 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.75 97.77 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -58.99 -49.6 77.27 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.47 -1.692 . . . . 0.0 110.09 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.79 -42.22 88.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-O 122.201 1.0 . . . . 0.0 109.297 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.88 -47.88 76.57 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 122.086 0.946 . . . . 0.0 108.71 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.769 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.85 -38.35 76.46 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.684 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.58 -28.6 59.01 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.414 -1.429 . . . . 0.0 110.866 -174.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -39.57 71.54 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.457 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.86 -49.2 63.42 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.465 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.29 -45.23 84.31 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.976 -1.089 . . . . 0.0 110.538 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.28 85.12 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.862 -1.149 . . . . 0.0 111.535 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.85 61.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.116 -0.99 . . . . 0.0 110.281 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.83 -32.29 46.12 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.583 -0.698 . . . . 0.0 111.364 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.46 12.29 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 124.276 1.989 . . . . 0.0 112.946 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.897 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.4 mt-10 . . . . . 0 C--N 1.276 -2.591 0 CA-C-N 111.172 -2.74 . . . . 0.0 110.121 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.61 ' O2 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -60.01 -36.95 78.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.3 mt-10 -60.98 -77.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 3' ' ' GLU . 95.6 mt -38.56 -36.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.407 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -62.9 -50.13 72.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.917 0.389 . . . . 1.94 110.365 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.3 mt-10 -68.37 -36.39 79.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.243 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -64.72 -43.31 96.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.79 -44.56 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.895 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.9 mtp -58.75 -41.24 86.06 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.516 -0.549 . . . . 1.04 109.516 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.63 96.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.264 -1.135 . . . . 0.0 110.264 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.97 -43.14 99.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.207 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.12 -44.44 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.004 -0.544 . . . . 1.05 109.773 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.52 -43.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 1.02 109.983 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.13 -46.8 89.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.784 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -59.9 -44.46 94.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.924 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.569 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -62.14 -42.55 99.73 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -63.28 -42.25 99.07 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -49.87 75.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.47 -46.3 90.58 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -54.33 -44.18 71.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.84 -42.43 99.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.636 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.91 72.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.35 -42.95 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.596 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.72 95.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.717 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.39 85.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.633 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.86 -45.39 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.499 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.98 -42.73 76.79 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -60.95 -41.71 96.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.94 95.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.74 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.79 -29.89 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.171 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -82.75 -4.35 57.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.486 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.56 17.47 70.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -98.45 79.62 2.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.783 0.325 . . . . 0.0 110.303 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -64.58 -34.11 77.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.727 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.49 78.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.027 0.441 . . . . 0.0 110.664 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.07 83.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.64 -47.84 81.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.613 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.88 -43.32 99.08 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.666 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.77 98.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.1 mmm -65.98 -40.45 91.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.79 -41.19 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.29 -43.32 99.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.94 -40.24 97.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.222 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t -61.59 -46.82 88.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.559 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -59.13 -43.12 91.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.37 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.532 ' SD ' ' C ' ' A' ' 46' ' ' MET . 18.7 tmm? -60.12 -43.96 95.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.174 0.511 . . . . 0.0 110.576 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.54 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.187 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.37 -40.3 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.676 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 52.4 t-20 -60.87 -42.21 97.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.237 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.07 -39.81 93.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.191 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -46.05 74.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.486 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.55 -39.68 88.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.044 -0.525 . . . . 0.13 110.412 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.16 -43.76 95.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.326 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.64 -43.51 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.035 0.445 . . . . 0.0 110.083 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -59.52 -44.16 93.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.313 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -57.13 -42.38 80.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 1.03 110.033 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.446 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.64 -30.79 71.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.66 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -85.71 -32.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 1.01 110.848 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 61' ' ' GLY . 80.6 mm-40 -82.36 -9.67 59.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.456 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 60' ' ' GLU . . . -37.28 -80.39 0.03 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -144.72 95.43 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.5 144.89 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.78 147.82 23.13 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -56.46 102.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.36 1.7 65.57 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -118.57 129.22 55.21 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.777 0.322 . . . . 0.0 110.418 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.7 mmm -74.9 140.53 43.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.596 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -72.29 63.09 0.52 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.95 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.2 t -102.7 123.77 56.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.724 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.431 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 83.3 p -135.91 169.12 18.09 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.11 -42.11 85.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.604 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.9 -46.04 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.956 0.408 . . . . 0.0 110.578 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' A' ' 71' ' ' SER . 84.2 mt -64.46 -42.51 95.91 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.187 -0.46 . . . . 1.03 110.924 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.54 -46.51 92.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.76 -0.654 . . . . 1.12 110.207 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -58.33 -45.1 88.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.285 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.48 87.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.512 -0.313 . . . . 1.01 110.605 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -62.16 -40.96 97.75 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.207 -0.451 . . . . 1.89 110.213 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.5 tp -55.02 -47.06 75.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.421 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.588 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 38.4 m80 -68.6 -45.53 71.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.285 -0.416 . . . . 0.13 110.717 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.95 -49.31 76.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.811 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.23 -44.28 96.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.209 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.7 p -61.95 -45.32 94.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.124 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -62.78 -47.49 83.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.458 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.4 tpp -59.05 -48.15 82.63 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.551 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.63 -45.04 95.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.127 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.18 -47.17 81.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.847 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -59.36 -44.71 92.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.191 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.62 -46.58 89.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.129 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.09 -42.12 94.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.247 0.546 . . . . 0.0 109.892 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.16 -41.97 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.27 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.1 m -57.29 -45.91 83.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.469 . . . . 0.0 109.881 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.01 -42.77 99.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.56 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 13.7 mt -60.06 -44.05 94.98 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.4 -43.25 96.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.562 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -59.08 -39.54 82.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.705 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.461 ' CD2' ' NE2' ' B' ' 98' ' ' HIS . 36.5 mt -61.68 -41.75 97.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.916 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 74.3 m80 -59.01 -39.96 83.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' ALA . 83.5 tt0 -61.61 -41.69 97.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.179 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.19 -37.63 88.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.79 -40.86 95.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -91.47 -7.11 51.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.486 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.521 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -60.17 -37.02 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.5 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.1 mt-10 -60.68 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.451 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' B' ' 3' ' ' GLU . 94.4 mt -38.61 -36.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.511 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.83 -50.11 72.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 1.94 110.386 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' B' ' 3' ' ' GLU . 96.9 mt-10 -68.25 -36.34 79.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.218 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.13 -43.27 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 69.1 t -60.73 -44.4 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.933 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.1 mtp -59.04 -40.82 86.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.611 -0.514 . . . . 1.05 109.611 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.44 -42.2 96.0 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.101 -1.199 . . . . 0.0 110.101 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.24 -43.25 98.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.827 0.346 . . . . 0.0 110.325 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.409 HD13 HG21 ' B' ' 12' ' ' ILE . 95.2 mt -63.08 -44.5 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 1.08 109.71 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.33 -43.94 98.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 1.02 109.936 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -60.7 -46.59 89.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.868 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.5 t -59.93 -44.58 94.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.131 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.57 99.77 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -63.85 -42.34 97.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -49.96 75.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.914 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.2 -46.33 90.09 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.2 m -54.56 -43.8 72.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.94 -42.43 99.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.727 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.38 -50.74 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.47 -42.9 93.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.704 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.77 95.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.744 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.18 85.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.656 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.97 -45.7 93.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.303 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.97 -42.46 76.29 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -61.23 -41.43 96.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.9 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.68 96.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.666 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.76 -30.14 69.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.057 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.65 -4.61 58.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.83 17.4 70.34 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.43 79.77 2.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.307 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.98 -33.84 77.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.573 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.32 -48.47 77.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.034 0.445 . . . . 0.0 110.781 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.67 81.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.368 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.12 80.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.566 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.73 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.62 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.09 98.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.686 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 84.5 mmm -65.74 -40.45 92.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.69 -41.29 99.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.441 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.03 -40.36 97.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.257 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 42.0 t -61.37 -46.66 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.487 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.49 -42.99 93.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.269 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' B' ' 46' ' ' MET . 18.6 tmm? -60.09 -43.68 95.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.285 0.564 . . . . 0.0 110.613 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.79 97.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.12 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.2 -40.39 94.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.772 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -60.61 -42.21 96.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.341 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.23 -39.73 93.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.173 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.53 -45.76 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.489 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.83 -39.68 89.96 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.13 110.297 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.1 mt -60.25 -43.89 95.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.375 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.55 -43.6 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.986 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -59.46 -43.97 93.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.216 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -57.6 -41.99 82.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 1.03 109.923 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.73 -39.49 94.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 110.593 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.98 -30.76 71.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.691 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.9 mt -85.46 -32.38 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.09 -0.505 . . . . 1.01 110.789 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -82.09 -9.44 59.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -37.37 -80.81 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -144.28 95.18 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.741 0.305 . . . . 0.0 110.564 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.3 145.06 49.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.91 148.01 23.12 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.55 102.2 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.598 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.61 1.42 66.05 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -118.18 129.52 55.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.655 0.264 . . . . 0.0 110.503 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 97.7 mmm -75.19 141.62 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.597 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -73.16 63.59 0.71 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -104.23 123.29 57.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.833 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.5 p -135.49 170.63 15.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.538 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 39.6 mt -60.02 -42.22 93.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.583 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.72 -45.53 94.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.609 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.61 -42.3 95.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.09 0.471 . . . . 1.03 110.93 -178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.57 -46.61 92.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.785 -0.643 . . . . 1.12 110.286 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -58.25 -45.7 87.33 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.82 -0.352 . . . . 2.11 110.32 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.96 91.8 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.903 0.383 . . . . 1.01 110.395 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -62.71 -40.83 98.39 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.079 -0.51 . . . . 1.89 110.217 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 37.6 tp -55.35 -47.01 76.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -68.49 -45.66 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.302 -0.408 . . . . 0.14 110.747 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.93 -49.54 75.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.03 -44.25 97.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.238 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.6 p -62.09 -45.11 94.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.177 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -62.79 -47.31 84.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.581 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.2 tpp -59.35 -48.24 82.38 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.455 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.35 -45.28 95.05 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.101 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.19 80.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.911 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -59.65 -44.57 93.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.248 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -60.71 -46.59 89.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.154 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.01 -41.68 95.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.156 0.503 . . . . 0.0 110.064 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.73 -41.99 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.141 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.0 m -57.03 -46.0 82.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.075 0.464 . . . . 0.0 109.921 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.479 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.561 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.0 mt -60.29 -43.76 95.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.89 -43.13 97.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.572 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.21 -39.49 82.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.748 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.478 ' CD2' ' NE2' ' C' ' 98' ' ' HIS . 34.7 mt -61.64 -41.81 98.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.845 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.561 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 74.3 m80 -58.8 -40.36 83.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.759 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' B' ' 103' ' ' ALA . 83.2 tt0 -61.43 -41.16 96.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.122 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.87 -37.57 87.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.176 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.58 -41.24 96.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -91.05 -7.51 51.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.67 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.25 -36.64 78.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.5 mt-10 -60.89 -77.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' C' ' 3' ' ' GLU . 94.8 mt -38.7 -37.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.369 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.55 -50.51 71.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.796 0.331 . . . . 1.94 110.387 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' C' ' 3' ' ' GLU . 96.6 mt-10 -68.01 -36.84 80.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.42 -43.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.349 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.91 -44.46 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.968 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 87.5 mtp -58.84 -40.81 85.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.545 -0.539 . . . . 1.05 109.545 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.17 -42.67 96.3 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.95 -42.81 99.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.939 0.399 . . . . 0.0 110.425 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.37 -44.57 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.968 -0.56 . . . . 1.09 109.717 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.18 -43.73 98.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 1.02 110.075 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.13 -46.67 89.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.812 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 35.1 t -59.86 -44.55 94.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.189 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.96 99.72 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -63.74 -42.42 97.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -50.27 74.38 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.92 -46.77 88.3 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -54.22 -44.03 71.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.67 -42.35 99.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.721 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.44 -51.12 71.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.24 -42.9 92.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.493 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.7 95.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.712 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.68 -44.02 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.502 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.37 -45.36 94.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.434 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.95 -43.12 77.17 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -60.79 -41.33 95.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.894 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.59 96.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.843 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.95 -29.93 69.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.11 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.56 -4.58 57.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.447 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.04 17.01 70.75 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.22 79.73 2.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.713 0.292 . . . . 0.0 110.253 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -65.03 -33.94 77.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.629 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.31 -48.26 78.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.015 0.436 . . . . 0.0 110.651 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.75 81.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.436 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.51 82.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.49 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.22 -43.51 98.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.597 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.44 98.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 84.2 mmm -65.37 -40.85 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.564 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.47 -41.23 98.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.668 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -61.38 -43.07 99.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.445 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.18 -40.11 96.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 43.5 t -61.82 -46.2 90.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.518 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.403 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 75.9 ttt180 -59.81 -42.7 94.04 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.311 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' MET . . . . . 0.541 ' SD ' ' C ' ' C' ' 46' ' ' MET . 18.6 tmm? -60.62 -43.39 97.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 110.554 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.96 98.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.344 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.23 -40.42 94.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 52.0 t-20 -60.78 -42.45 97.53 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.317 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.87 -40.12 94.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.017 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.23 75.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.401 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.44 -39.66 88.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.14 110.307 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.53 -43.43 97.15 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.35 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.77 -43.67 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.013 0.435 . . . . 0.0 109.946 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -59.43 -44.21 92.95 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.205 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -57.21 -42.21 80.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 1.03 110.203 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.73 -39.11 93.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.99 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.772 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -85.45 -32.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.935 -0.575 . . . . 1.01 110.864 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -82.43 -9.28 59.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.478 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' C' ' 60' ' ' GLU . . . -37.46 -80.57 0.03 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -144.49 94.82 2.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.869 0.366 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.68 145.2 50.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.12 148.15 23.02 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -56.75 102.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . 0.59 ' O ' ' CE1' ' D' ' 348' ' ' PHE . . . 75.02 1.96 64.42 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -118.44 129.49 55.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.682 0.277 . . . . 0.0 110.546 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 97.7 mmm -75.33 141.93 43.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.607 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -73.69 63.45 0.85 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 58.3 t -103.7 123.23 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.736 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 90.4 p -134.5 172.74 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.488 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.86 -41.64 98.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.668 -177.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 57.0 t -65.42 -46.4 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 130.131 3.372 . . . . 0.0 110.596 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.46 -42.26 87.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.071 0.462 . . . . 1.03 110.975 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.72 -46.88 92.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.792 -0.64 . . . . 1.13 110.19 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -58.38 -45.61 87.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.727 0.299 . . . . 1.96 110.338 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.05 90.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.924 0.392 . . . . 1.01 110.424 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -62.57 -40.97 98.55 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.196 -0.456 . . . . 1.89 110.235 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 37.5 tp -55.13 -47.12 75.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.452 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -68.64 -45.61 71.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.347 -0.388 . . . . 0.13 110.759 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.8 -49.39 76.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.819 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.29 -44.16 97.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.386 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.9 p -62.05 -45.17 94.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.198 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.76 -47.54 83.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 9.1 tpp -58.88 -48.3 81.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.534 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.41 -45.39 94.53 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.134 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.63 -47.4 79.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.987 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.403 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 78.7 ttt-85 -59.42 -44.79 92.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.21 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.22 -46.66 88.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.234 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.29 -41.87 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.119 0.485 . . . . 0.0 110.008 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.38 -41.77 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.325 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.0 m -57.35 -45.93 83.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.146 0.498 . . . . 0.0 109.975 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.93 -42.58 99.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.491 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.559 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.3 mt -60.36 -43.82 96.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.48 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.86 -43.06 96.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.504 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.0 -39.66 82.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.098 0.475 . . . . 0.0 109.725 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 mt -61.49 -41.59 97.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.938 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.559 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 74.4 m80 -59.36 -39.86 84.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' C' ' 103' ' ' ALA . 83.3 tt0 -61.8 -41.21 97.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.048 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -63.59 -37.88 89.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.196 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.53 -41.1 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.293 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -91.17 -7.67 50.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.517 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 121.881 0.848 . . . . 0.0 108.977 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.81 143.01 36.65 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.33 38.61 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.973 -1.08 . . . . 0.0 109.573 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.17 149.14 28.43 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.3 19.0 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.095 -1.003 . . . . 0.0 108.348 178.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.85 144.38 19.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.68 136.57 37.03 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.14 0.971 . . . . 0.0 110.069 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.32 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 177.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.9 -4.27 19.35 Favored 'General case' 0 C--N 1.265 -3.099 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.896 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.56 141.88 85.75 Favored Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 119.67 -1.894 . . . . 0.0 110.632 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.5 -47.63 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 124.754 3.636 . . . . 0.0 114.158 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -102.17 27.52 6.6 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 116.07 -2.252 . . . . 0.0 108.768 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 65.94 -127.27 30.29 Favored Glycine 0 N--CA 1.497 2.721 0 C-N-CA 117.725 -2.178 . . . . 0.0 109.543 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 7.0 tp -127.07 79.1 1.86 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.983 -1.304 . . . . 0.0 109.463 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.96 173.98 8.99 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 117.815 -1.554 . . . . 0.0 112.182 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.523 ' OG1' ' O1 ' ' D' ' 200' ' ' PO3 . 6.8 p -22.57 -68.6 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -176.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.569 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.0 ttt-85 -45.75 -66.34 0.52 Allowed Pre-proline 0 N--CA 1.493 1.7 0 C-N-CA 120.125 -0.63 . . . . 0.0 112.456 -177.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' D' ' 317' ' ' ARG . 20.8 Cg_endo -64.06 -32.18 64.61 Favored 'Trans proline' 0 C--N 1.315 -1.212 0 C-N-CA 121.821 1.681 . . . . 0.0 111.497 176.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.88 86.93 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.253 -0.904 . . . . 0.0 109.451 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.99 -39.67 72.33 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.97 -39.41 94.06 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 118.013 -1.475 . . . . 0.0 109.515 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.541 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.67 -45.3 93.43 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 122.575 1.179 . . . . 0.0 108.723 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.62 -42.27 95.35 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.679 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -63.84 -40.29 96.24 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.227 -0.921 . . . . 0.0 109.795 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.468 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.75 -39.78 80.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.501 -0.749 . . . . 0.0 109.536 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.94 91.74 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.658 -1.276 . . . . 0.0 109.4 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.35 -16.19 43.65 Favored 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.99 -10.49 86.23 Favored Glycine 0 N--CA 1.479 1.549 0 O-C-N 119.941 -1.724 . . . . 0.0 109.336 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.415 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.28 32.93 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.191 -1.77 . . . . 0.0 110.044 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.56 -30.03 59.54 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.18 -0.95 . . . . 0.0 112.31 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.54 10.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 119.8 -1.813 . . . . 0.0 112.819 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.29 35.41 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 171.27 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.67 136.64 60.23 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.435 0 CA-C-O 122.203 1.001 . . . . 0.0 109.333 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.417 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -124.91 143.17 51.0 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 123.042 1.401 . . . . 0.0 109.991 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.417 ' N ' HG23 ' D' ' 334' ' ' THR . 86.2 t -108.13 129.95 61.5 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.733 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 173.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 336' ' ' THR . . . . . . . . . . . . . 70.3 m -127.45 119.5 26.27 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.84 -1.162 . . . . 0.0 108.951 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.2 t -122.46 122.65 39.47 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.935 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.67 38.99 24.2 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.946 -1.096 . . . . 0.0 112.801 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 10.98 83.59 Favored Glycine 0 N--CA 1.5 2.939 0 O-C-N 119.873 -1.767 . . . . 0.0 112.585 177.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.85 136.29 54.54 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.274 -2.121 . . . . 0.0 105.274 177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.8 158.54 33.12 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.748 1.737 . . . . 0.0 112.492 -176.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.44 31.47 Favored 'General case' 0 C--N 1.278 -2.515 0 CA-C-N 112.492 -2.14 . . . . 0.0 108.548 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.642 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.59 135.94 48.85 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 105.612 -1.995 . . . . 0.0 105.612 173.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.9 -6.81 47.61 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.769 -1.207 . . . . 0.0 110.785 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.642 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.5 12.91 31.72 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.603 -1.31 . . . . 0.0 109.332 -177.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 98.5 p -133.07 104.19 6.4 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.185 0.993 . . . . 0.0 110.167 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.19 -37.92 72.89 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.992 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . 0.59 ' CE1' ' O ' ' C' ' 66' ' ' GLY . 63.6 m-85 -58.96 -51.33 70.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.602 -1.312 . . . . 0.0 113.017 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.05 -32.49 70.64 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 119.575 -1.953 . . . . 0.0 109.165 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.69 75.72 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.971 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.547 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.65 -10.46 52.45 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.615 -0.678 . . . . 0.0 109.989 -177.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 40.2 p -89.76 -7.74 53.79 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 118.087 -1.445 . . . . 0.0 110.982 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.3 159.35 15.31 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.243 -0.91 . . . . 0.0 110.201 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.87 2.97 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 106.931 -2.468 . . . . 0.0 106.931 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.1 mt -119.64 47.38 1.73 Allowed 'General case' 0 C--N 1.31 -1.134 0 O-C-N 120.666 -1.491 . . . . 0.0 107.42 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 47.9 p -81.45 172.52 13.42 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.168 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.69 140.96 57.31 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.801 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.22 79.09 Favored Glycine 0 N--CA 1.501 3.001 0 C-N-CA 119.953 -1.118 . . . . 0.0 111.348 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.45 135.96 34.04 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.884 -1.362 . . . . 0.0 110.605 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.63 123.75 49.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.2 m -112.24 160.04 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 117.4 -1.72 . . . . 0.0 110.59 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 90.3 m -108.84 128.29 54.77 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.517 -1.364 . . . . 0.0 107.631 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.82 121.42 60.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 176.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.22 50.7 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.547 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.39 47.24 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.825 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.517 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.14 110.8 6.44 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 118.588 -1.245 . . . . 0.0 107.996 178.214 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.2 -170.26 40.1 Favored Glycine 0 C--N 1.295 -1.696 0 C-N-CA 118.011 -2.042 . . . . 0.0 110.328 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.64 82.8 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-N 114.338 -0.931 . . . . 0.0 112.201 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.0 36.67 3.58 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 115.946 -2.302 . . . . 0.0 108.614 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.34 -33.52 65.71 Favored 'General case' 0 N--CA 1.521 3.108 0 N-CA-C 116.831 2.159 . . . . 0.0 116.831 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -45.56 27.43 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 119.583 -1.948 . . . . 0.0 110.984 -176.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.772 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.7 -40.6 97.18 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.47 77.74 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 117.437 -1.705 . . . . 0.0 110.078 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.0 t -66.83 -42.19 88.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-O 122.279 1.038 . . . . 0.0 109.289 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.93 76.45 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 122.119 0.961 . . . . 0.0 108.732 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.772 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.82 -38.35 76.54 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.657 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.541 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.4 mt -75.52 -28.71 59.21 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.347 -1.471 . . . . 0.0 110.887 -174.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -39.54 71.56 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.408 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.86 -49.29 62.93 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.468 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.27 -45.22 84.27 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.512 177.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.4 -37.32 85.31 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.838 -1.164 . . . . 0.0 111.517 -177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.82 61.68 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.133 -0.979 . . . . 0.0 110.252 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.92 -32.3 45.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.492 -0.755 . . . . 0.0 111.346 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.46 12.26 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 124.289 1.995 . . . . 0.0 112.847 178.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.896 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.7 tt0 . . . . . 0 C--N 1.276 -2.589 0 CA-C-N 111.136 -2.757 . . . . 0.0 110.136 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.588 ' O1 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -57.46 -36.22 71.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 6' ' ' GLU . 51.1 tp10 -59.73 -74.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.436 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 3' ' ' GLU . 96.7 mt -38.35 -38.13 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -178.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.63 -47.43 78.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.848 0.356 . . . . 1.94 110.293 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.0 mt-10 -67.91 -35.88 79.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.245 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.65 -42.97 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.386 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.88 -43.94 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.92 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.2 -42.45 90.94 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.512 -0.551 . . . . 1.04 109.512 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.4 -41.86 97.9 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.38 -42.34 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.154 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.0 -44.21 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 1.05 109.748 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.443 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 90.9 mt -63.9 -44.09 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.992 -0.549 . . . . 1.02 109.995 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -61.98 -45.76 92.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.784 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.29 -44.59 95.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.931 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.64 -43.38 99.07 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.48 -43.5 97.11 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -50.17 74.48 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.889 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.631 HH21 ' HH ' ' A' ' 23' ' ' TYR . 76.3 ttt180 -59.61 -45.94 90.44 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -55.68 -43.99 76.88 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.91 -43.15 96.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.68 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.87 72.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.631 ' HH ' HH21 ' A' ' 19' ' ' ARG . 8.0 m-85 -59.26 -40.86 87.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.622 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.64 88.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.763 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.35 86.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.717 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.28 -45.36 94.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.505 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.69 -41.72 74.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.62 -41.91 98.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.765 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.76 92.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.719 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.56 -29.04 69.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.152 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -81.14 -5.04 57.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.482 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.84 15.36 67.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.7 79.64 2.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.744 0.306 . . . . 0.0 110.267 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.56 -34.47 78.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.629 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.35 84.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.007 0.432 . . . . 0.0 110.742 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.94 -35.47 80.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.377 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.63 82.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.573 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -62.44 -42.48 99.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.665 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.22 97.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.738 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.55 -42.0 92.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.519 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.447 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 74.9 mtm -64.73 -40.45 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.635 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -61.51 -47.94 83.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.013 0.435 . . . . 0.0 110.558 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.42 -41.11 98.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.219 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.28 -46.74 89.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.539 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -60.43 -42.99 97.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.326 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.81 -43.62 97.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.243 0.544 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.223 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.43 -39.52 92.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.59 -43.23 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.236 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.43 -39.86 92.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.228 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.9 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.47 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -61.13 -39.39 89.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.019 -0.537 . . . . 0.13 110.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.9 mt -60.21 -43.87 95.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.296 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.77 -42.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.973 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.408 HE21 HD23 ' A' ' 74' ' ' LEU . 68.9 tp60 -60.83 -43.87 97.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.247 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.5 m -56.46 -43.32 79.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 1.03 110.045 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.15 -39.37 92.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.49 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.93 -31.28 72.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.663 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 59' ' ' ILE . 96.6 mt -84.0 -33.38 9.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 1.01 110.871 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -82.55 -7.59 59.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.476 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.8 -172.91 0.03 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -88.76 109.27 20.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 110.565 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.04 143.44 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.1 158.67 50.41 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.85 121.0 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.697 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.61 -9.59 71.21 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -98.64 141.96 30.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.731 0.3 . . . . 0.0 110.413 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -81.68 -165.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -88.85 -9.19 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.94 0.4 . . . . 0.0 110.937 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.4 t -104.04 124.13 58.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.697 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.583 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 95.7 p -129.55 161.61 30.11 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.18 -44.47 83.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.665 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.46 -48.02 86.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.865 0.364 . . . . 0.0 110.553 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.583 ' H ' ' HG ' ' A' ' 71' ' ' SER . 97.4 mt -64.07 -42.16 97.08 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.228 -0.442 . . . . 1.03 110.928 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.5 -47.63 90.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.726 -0.67 . . . . 1.12 110.103 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -58.16 -46.95 84.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.799 0.333 . . . . 0.0 110.347 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.89 96.1 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.75 0.31 . . . . 1.01 110.612 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.416 HE21 ' HG2' ' A' ' 82' ' ' MET . 61.3 tp60 -62.62 -41.47 99.02 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.248 -0.433 . . . . 1.89 110.166 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.8 tp -56.48 -46.75 80.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.417 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.651 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 47.1 m80 -67.36 -46.17 74.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.302 -0.408 . . . . 0.13 110.665 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.72 -46.21 91.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.793 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.416 ' HG2' HE21 ' A' ' 78' ' ' GLN . 87.5 mmm -61.04 -42.48 98.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.182 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 21.8 p -62.84 -45.15 93.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.125 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -62.57 -49.12 76.55 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.449 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.82 -48.26 80.26 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.719 0.295 . . . . 0.0 110.58 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.25 -45.19 95.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 110.068 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.29 83.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.869 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -57.8 -45.87 85.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.143 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.583 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 98.1 mt-10 -62.1 -43.51 98.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.086 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.43 -43.0 91.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.13 0.491 . . . . 0.0 109.856 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.25 -42.36 90.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.238 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.0 m -57.68 -45.98 84.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.83 -44.64 95.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.562 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.79 -44.42 90.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.447 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 91.1 mt -61.37 -42.82 95.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.483 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -60.91 -39.39 89.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.63 -41.59 99.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.786 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -59.29 -39.65 83.65 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.473 ' O ' ' O ' ' A' ' 102' ' ' LYS . 10.6 tm-20 -63.25 -38.83 92.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.554 ' NZ ' ' CD2' ' B' ' 98' ' ' HIS . 98.2 mttt -64.57 -39.5 93.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.214 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.03 -42.14 94.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.391 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 99' ' ' GLU . 64.2 mttp -90.8 140.19 30.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.464 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.566 0 CA-C-O 117.911 -1.043 . . . . 0.0 110.508 179.865 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -56.96 -36.42 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 6' ' ' GLU . 50.6 tp10 -59.57 -74.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.491 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 3' ' ' GLU . 96.8 mt -38.36 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.498 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.74 -47.49 78.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.863 0.363 . . . . 1.94 110.32 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt-10 -67.61 -35.98 79.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.237 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.56 -43.26 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.34 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.84 -43.71 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.87 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -59.54 -42.06 91.48 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.501 -0.555 . . . . 1.05 109.501 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.04 97.51 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.3 -42.52 99.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.826 0.346 . . . . 0.0 110.421 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.87 -44.4 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 1.08 109.685 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.57 -44.29 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.875 -0.602 . . . . 1.02 109.926 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -61.8 -45.6 93.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.851 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.45 -44.44 95.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.09 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.26 99.23 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.55 -43.59 96.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.23 74.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.915 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.639 HH21 ' HH ' ' B' ' 23' ' ' TYR . 76.7 ttt180 -59.6 -45.88 90.61 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -55.81 -43.87 77.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.91 -43.33 96.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.747 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.08 71.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.639 ' HH ' HH21 ' B' ' 19' ' ' ARG . 8.0 m-85 -59.27 -40.8 87.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.691 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.81 88.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.685 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.23 86.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.612 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.62 -45.46 93.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.383 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.66 -41.77 74.12 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.51 -41.93 98.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.857 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.84 93.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.667 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.3 -29.15 69.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.084 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -81.34 -4.87 56.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.387 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.59 15.57 68.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.77 79.2 2.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.714 0.292 . . . . 0.0 110.303 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -64.34 -34.51 78.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.604 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.44 -47.62 83.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.947 0.403 . . . . 0.0 110.742 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.2 80.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.429 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.75 -47.83 81.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.555 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.28 -42.74 99.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.556 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.3 98.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.62 -42.22 91.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.527 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.437 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 74.9 mtm -64.27 -40.67 96.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.557 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.68 -47.93 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.458 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.28 -41.01 98.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.269 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.49 -46.61 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.457 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -60.7 -42.86 98.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.332 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -60.76 -43.51 97.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.225 0.536 . . . . 0.0 110.617 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.28 99.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.177 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.55 -39.62 91.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.756 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.61 -43.12 97.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.03 -40.06 94.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.172 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.92 76.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.453 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.33 -39.09 89.24 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.13 110.248 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.44 -43.99 96.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.39 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.37 -43.48 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.08 0.467 . . . . 0.0 110.029 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.411 HE21 HD23 ' B' ' 74' ' ' LEU . 68.6 tp60 -60.15 -44.11 95.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.8 m -56.49 -43.37 79.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 1.03 110.01 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.16 -39.17 91.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.568 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.9 -31.21 72.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.756 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -83.97 -33.69 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.023 -0.535 . . . . 1.01 110.691 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -82.1 -7.86 59.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.37 -173.42 0.03 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -88.44 109.44 20.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.546 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 143.71 51.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.403 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.2 159.35 49.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.52 120.67 14.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.596 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.83 -9.28 70.79 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.72 142.12 30.67 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.667 0.27 . . . . 0.0 110.487 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -81.85 -164.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -89.13 -8.83 53.0 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.828 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.11 124.22 59.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.776 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 91.9 p -129.29 164.14 24.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.591 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.16 -44.14 95.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.581 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.68 -47.31 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.576 -178.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.573 ' H ' ' HG ' ' B' ' 71' ' ' SER . 97.2 mt -64.63 -41.16 96.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.076 0.465 . . . . 1.03 111.004 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.4 -46.88 94.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.766 -0.652 . . . . 1.12 110.307 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.475 ' CE1' ' CE1' ' B' ' 80' ' ' HIS . 58.7 t-80 -58.95 -46.41 88.11 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.763 -0.375 . . . . 2.11 110.339 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.55 95.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.866 0.365 . . . . 1.01 110.379 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.433 HE21 ' HG2' ' B' ' 82' ' ' MET . 62.1 tp60 -63.16 -41.26 99.22 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.119 -0.491 . . . . 1.89 110.221 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 41.4 tp -56.87 -46.6 81.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.382 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.486 ' O ' ' OG1' ' B' ' 83' ' ' THR . 47.9 m80 -67.35 -46.18 74.15 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.734 -0.386 . . . . 0.14 110.687 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.84 -46.36 90.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.844 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' MET . . . . . 0.433 ' HG2' HE21 ' B' ' 78' ' ' GLN . 87.6 mmm -60.41 -43.31 96.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.235 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 22.1 p -62.17 -45.77 91.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.206 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.8 t -61.66 -49.33 76.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.642 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.98 -48.14 80.89 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.456 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.45 -44.74 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.72 83.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.89 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -57.47 -46.09 84.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.595 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 97.8 mt-10 -61.66 -43.72 98.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.096 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.67 -42.51 91.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.121 0.486 . . . . 0.0 110.011 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.38 -42.18 89.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.19 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 71.8 m -58.13 -45.48 87.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.039 0.447 . . . . 0.0 109.874 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.18 -44.47 95.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.491 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.87 -44.45 91.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.437 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.5 mt -61.44 -42.96 95.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.553 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -60.59 -39.5 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.67 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.55 -41.31 98.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.873 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.554 ' CD2' ' NZ ' ' A' ' 100' ' ' LYS . 60.1 m80 -59.34 -39.9 84.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.789 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 102' ' ' LYS . 10.2 tm-20 -63.03 -38.96 93.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.115 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.56 ' NZ ' ' CD2' ' C' ' 98' ' ' HIS . 98.2 mttt -64.38 -39.96 94.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.213 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.42 -42.32 96.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.423 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' B' ' 99' ' ' GLU . 64.4 mttp -90.93 140.4 29.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.541 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -57.63 -35.83 71.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' C' ' 6' ' ' GLU . 51.0 tp10 -60.12 -74.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.35 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' C' ' 3' ' ' GLU . 97.6 mt -38.15 -38.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.429 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.61 -47.8 77.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.879 0.371 . . . . 1.94 110.396 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.2 mt-10 -67.43 -36.04 80.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.298 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.41 -42.91 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.324 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.19 -43.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.979 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.1 -42.4 90.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.624 -0.51 . . . . 1.05 109.624 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.75 98.03 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.54 -42.23 98.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.403 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.16 -44.09 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.956 -0.565 . . . . 1.09 109.712 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.411 HD13 HG21 ' C' ' 13' ' ' ILE . 93.4 mt -63.8 -44.18 98.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.538 . . . . 1.02 110.048 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -61.88 -45.71 92.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.781 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.36 -44.43 95.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.17 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.04 -42.91 99.5 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.8 -43.55 95.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.22 74.23 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.623 HH21 ' HH ' ' C' ' 23' ' ' TYR . 76.7 ttt180 -59.32 -46.2 89.24 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 12.0 t -55.58 -44.17 76.64 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.59 -43.04 98.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.773 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -51.11 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.623 ' HH ' HH21 ' C' ' 19' ' ' ARG . 7.9 m-85 -59.24 -40.95 87.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.508 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.9 88.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.694 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.42 86.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.525 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.34 -45.35 94.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.474 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.86 -41.3 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.08 -41.62 98.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.891 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.81 93.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.803 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.62 -29.15 69.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.085 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -80.98 -4.84 56.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.475 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.55 15.45 68.43 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -99.01 79.53 2.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.718 0.294 . . . . 0.0 110.302 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -64.67 -34.39 78.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.551 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.57 83.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 110.708 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.35 80.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.416 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.99 80.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.447 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -61.76 -42.85 99.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.651 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.63 99.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.743 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.41 -42.16 92.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 75.0 mtm -64.36 -40.53 96.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.58 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -61.77 -48.33 81.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.424 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.73 -41.53 99.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.01 -46.69 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -60.88 -42.44 97.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.326 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.1 ttp -61.14 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.311 0.576 . . . . 0.0 110.537 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.31 99.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.312 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.54 -40.05 92.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.793 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.13 -43.18 95.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.27 -40.45 93.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.089 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -44.96 78.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.454 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.556 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.1 t60 -61.16 -39.31 89.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.991 -0.55 . . . . 0.14 110.347 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.54 -44.04 96.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.326 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.04 -43.4 96.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.002 0.43 . . . . 0.0 109.979 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.414 HE21 HD23 ' C' ' 74' ' ' LEU . 68.8 tp60 -60.4 -44.12 96.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.246 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.1 m -56.36 -43.19 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 1.03 110.11 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.34 -38.97 91.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 110.508 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.06 -31.09 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.439 HG21 HD13 ' C' ' 59' ' ' ILE . 96.9 mt -84.05 -33.55 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 1.01 110.852 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 -82.11 -7.97 59.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.463 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.25 -173.76 0.03 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -88.34 109.12 19.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.358 . . . . 0.0 110.518 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.8 143.65 52.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.29 159.31 50.13 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.35 121.2 15.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 110.641 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.3 -9.29 72.16 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -98.82 142.08 30.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.69 0.281 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -82.02 -164.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.558 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -89.44 -8.71 52.42 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.89 123.7 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.77 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.557 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 93.3 p -128.13 166.29 18.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.482 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 48.7 mt -61.77 -43.22 99.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.698 -177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.25 -47.37 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 130.108 3.363 . . . . 0.0 110.592 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.557 ' H ' ' HG ' ' C' ' 71' ' ' SER . 95.5 mt -67.03 -40.57 87.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.084 0.468 . . . . 1.03 110.998 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 52.4 t -60.93 -47.36 93.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.833 -0.621 . . . . 1.13 110.218 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 58.9 t-80 -58.85 -46.51 87.57 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.845 -0.342 . . . . 1.96 110.371 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.54 95.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.88 0.371 . . . . 1.01 110.44 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.428 HE21 ' HG2' ' C' ' 82' ' ' MET . 61.8 tp60 -62.95 -41.25 99.46 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.89 110.305 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 41.5 tp -56.9 -46.52 81.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.517 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 48.9 m80 -67.53 -45.94 74.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.3 -0.409 . . . . 0.13 110.808 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.05 -45.96 92.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.807 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' MET . . . . . 0.428 ' HG2' HE21 ' C' ' 78' ' ' GLN . 87.5 mmm -60.89 -43.19 98.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.45 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 22.7 p -62.1 -45.54 93.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.194 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.19 -49.15 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.08 -47.85 81.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.713 0.292 . . . . 0.0 110.535 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.56 -44.76 96.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.929 0.395 . . . . 0.0 110.152 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.28 84.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.968 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -57.71 -46.23 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.36 -43.91 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 0.0 110.165 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.41 -42.82 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.245 0.545 . . . . 0.0 110.033 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.15 -42.22 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.402 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -58.13 -45.34 87.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.093 0.473 . . . . 0.0 110.021 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.3 -44.27 95.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.52 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 84.7 mt -58.99 -44.55 91.62 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 90.1 mt -61.29 -43.01 95.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.557 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -60.38 -39.65 88.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.748 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.43 -41.83 99.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.879 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.56 ' CD2' ' NZ ' ' B' ' 100' ' ' LYS . 60.3 m80 -58.89 -40.05 83.3 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.3 tm-20 -62.88 -39.02 93.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.114 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.28 -39.62 94.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.24 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.81 -42.53 94.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.314 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.3 mttp -90.6 140.57 29.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.504 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.554 -179.919 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.516 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.857 0.837 . . . . 0.0 108.957 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.8 142.98 36.66 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.94 156.39 38.8 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.054 -1.029 . . . . 0.0 109.521 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.19 149.18 28.47 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.33 18.97 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.981 -1.074 . . . . 0.0 108.372 178.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.8 144.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.7 136.6 37.0 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.158 0.98 . . . . 0.0 110.165 177.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.98 114.31 24.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.88 -4.27 19.37 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.897 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.82 85.84 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.696 -1.878 . . . . 0.0 110.631 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.49 -47.69 12.84 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 124.749 3.633 . . . . 0.0 114.17 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.556 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 99.1 m-20 -102.13 27.56 6.55 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 116.082 -2.247 . . . . 0.0 108.795 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.22 -127.14 26.65 Favored Glycine 0 N--CA 1.496 2.696 0 C-N-CA 117.61 -2.233 . . . . 0.0 109.617 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.02 74.92 1.62 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.915 -1.344 . . . . 0.0 109.551 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -80.07 175.43 10.65 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.883 -1.527 . . . . 0.0 112.145 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.584 ' HG1' ' H ' ' D' ' 317' ' ' ARG . 63.9 p -22.99 -69.09 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -176.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.584 ' H ' ' HG1' ' D' ' 316' ' ' THR . 18.7 ttt180 -44.02 -66.0 0.52 Allowed Pre-proline 0 N--CA 1.493 1.683 0 C-N-CA 120.104 -0.638 . . . . 0.0 112.554 -177.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.71 -32.25 57.41 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 121.973 1.782 . . . . 0.0 111.469 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.83 86.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.208 -0.932 . . . . 0.0 109.47 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.69 72.49 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.94 -39.38 94.03 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 117.999 -1.48 . . . . 0.0 109.516 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.546 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.68 -45.3 93.42 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.569 1.176 . . . . 0.0 108.692 -177.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.68 -42.3 95.56 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.645 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.443 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 95.7 mttt -63.85 -40.22 96.07 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.784 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.462 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.66 79.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 109.589 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.01 91.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.571 -1.331 . . . . 0.0 109.444 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.42 -16.09 43.38 Favored 'General case' 0 N--CA 1.511 2.588 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.69 86.03 Favored Glycine 0 N--CA 1.479 1.531 0 O-C-N 119.921 -1.737 . . . . 0.0 109.3 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.415 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.33 143.34 32.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.26 -1.729 . . . . 0.0 110.054 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.67 -29.98 59.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.276 -0.89 . . . . 0.0 112.312 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.73 158.55 10.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.778 -1.826 . . . . 0.0 112.82 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.585 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.29 35.46 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 171.186 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.58 60.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 CA-C-O 122.176 0.989 . . . . 0.0 109.306 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.405 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.9 m -124.98 143.23 51.0 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 123.124 1.44 . . . . 0.0 109.973 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.405 ' N ' HG23 ' D' ' 334' ' ' THR . 86.6 t -108.05 129.92 61.43 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.683 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.0 m -127.44 119.6 26.49 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.831 -1.168 . . . . 0.0 108.971 -178.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.56 122.59 39.24 Favored 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.872 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.79 38.87 24.3 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.908 -1.12 . . . . 0.0 112.752 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.62 11.05 83.54 Favored Glycine 0 N--CA 1.502 3.046 0 O-C-N 119.853 -1.779 . . . . 0.0 112.519 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.88 136.25 54.57 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 105.274 -2.121 . . . . 0.0 105.274 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.73 158.5 33.12 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-O 123.76 1.743 . . . . 0.0 112.46 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.36 31.37 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 112.539 -2.118 . . . . 0.0 108.646 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.649 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.55 136.02 48.97 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.95 -6.87 48.19 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.727 -1.233 . . . . 0.0 110.695 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.649 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.44 12.93 31.57 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.61 -1.306 . . . . 0.0 109.392 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.1 t -133.09 104.13 6.36 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 122.206 1.003 . . . . 0.0 110.119 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.2 -37.91 72.89 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.985 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -58.84 -51.39 70.2 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.512 -1.368 . . . . 0.0 113.041 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.5 70.7 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 119.538 -1.976 . . . . 0.0 109.225 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.79 75.88 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.888 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.526 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.69 -10.42 52.21 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.63 -0.669 . . . . 0.0 109.883 -177.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.6 p -89.75 -7.74 53.8 Favored 'General case' 0 N--CA 1.501 2.124 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.888 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.404 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.9 mt -93.35 159.31 15.32 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.139 -0.976 . . . . 0.0 110.118 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.83 2.96 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 106.94 -2.464 . . . . 0.0 106.94 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.59 47.41 1.72 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 120.729 -1.453 . . . . 0.0 107.353 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 3.2 p -81.51 172.62 13.27 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.189 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -60.75 140.98 57.38 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.286 -0.966 . . . . 0.0 109.84 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.27 79.1 Favored Glycine 0 N--CA 1.501 3.003 0 C-N-CA 119.996 -1.097 . . . . 0.0 111.384 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.38 135.93 34.09 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.94 -1.329 . . . . 0.0 110.609 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.58 123.78 49.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.1 m -112.26 160.06 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 C-N-CA 117.347 -1.741 . . . . 0.0 110.611 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.4 m -108.81 128.43 54.89 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.588 -1.32 . . . . 0.0 107.617 175.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.96 121.38 60.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 176.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.27 50.71 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 -179.569 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.33 47.09 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 118.534 -1.267 . . . . 0.0 109.759 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.08 110.78 6.45 Favored 'General case' 0 C--N 1.287 -2.131 0 C-N-CA 118.588 -1.245 . . . . 0.0 108.074 178.212 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.28 40.13 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.047 -2.025 . . . . 0.0 110.378 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.56 82.9 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-N 114.403 -0.899 . . . . 0.0 112.173 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.05 36.72 3.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 115.886 -2.326 . . . . 0.0 108.581 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.59 65.75 Favored 'General case' 0 N--CA 1.521 3.1 0 N-CA-C 116.817 2.154 . . . . 0.0 116.817 -174.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.438 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.66 27.37 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 119.541 -1.974 . . . . 0.0 110.918 -176.507 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.784 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.68 97.6 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.5 77.6 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 117.483 -1.687 . . . . 0.0 110.028 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.73 -42.29 89.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 122.173 0.987 . . . . 0.0 109.283 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.83 -47.95 76.32 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 122.074 0.94 . . . . 0.0 108.712 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.784 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.72 -38.38 76.87 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.753 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.2 mt -75.55 -28.65 59.1 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.447 -1.408 . . . . 0.0 110.904 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.41 -39.54 71.62 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.27 62.93 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.462 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.22 -45.23 84.05 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.557 177.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.3 85.19 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.881 -1.137 . . . . 0.0 111.536 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.81 61.6 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.062 -1.023 . . . . 0.0 110.26 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.89 -32.37 45.78 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.49 -0.756 . . . . 0.0 111.335 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.99 125.44 12.08 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 124.317 2.008 . . . . 0.0 112.917 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.897 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.4 mm-40 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.181 -2.736 . . . . 0.0 110.17 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.651 ' O1 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -57.74 -37.32 73.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.2 mt-10 -62.39 -68.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 3' ' ' GLU . 97.9 mt -38.21 -39.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.471 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.8 -47.1 79.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.835 0.35 . . . . 1.94 110.274 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.6 mt-10 -67.22 -37.17 83.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.303 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.53 -42.72 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.396 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.22 -44.8 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.928 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.45 -42.14 91.27 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.518 -0.549 . . . . 1.04 109.518 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.77 97.8 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.24 -42.39 99.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 110.247 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' ' OG ' ' A' ' 15' ' ' SER . 93.7 mt -62.97 -44.46 99.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 1.05 109.763 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.43 -43.84 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 1.02 109.987 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -60.27 -46.32 90.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.785 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 12' ' ' ILE . 77.8 p -59.27 -43.2 92.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.978 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.42 99.68 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.01 -42.73 99.89 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.68 76.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -60.52 -46.33 90.54 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -55.14 -44.85 75.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.97 -42.64 99.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.79 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.5 -50.25 74.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.44 -42.51 92.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.614 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.23 -42.3 90.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.765 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.79 84.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.641 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.41 -45.35 94.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.459 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.738 ' HZ3' HE21 ' A' ' 31' ' ' GLN . 66.1 tttm -55.63 -43.17 75.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.2 mt-30 -61.66 -41.6 97.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.757 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.75 92.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.699 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.75 -28.98 69.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.146 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.738 HE21 ' HZ3' ' A' ' 27' ' ' LYS . 88.5 mt-30 -79.77 -4.51 52.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.373 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.87 13.46 69.4 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.9 79.54 2.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -64.86 -35.12 80.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.702 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.74 82.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.019 0.437 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -66.07 -35.16 79.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.386 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -48.07 80.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.599 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.01 -42.44 99.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.584 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.23 99.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.65 -40.63 92.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.88 -41.08 99.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -62.47 -44.23 96.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.994 0.426 . . . . 0.0 110.537 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.21 -41.68 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.227 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -60.55 -45.65 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.05 -42.48 98.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.3 tpp -60.98 -43.71 98.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.224 0.535 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.36 99.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.218 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.92 -39.5 90.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -61.37 -41.79 97.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.325 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -65.65 -39.34 91.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.148 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.68 -43.34 80.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.465 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -62.7 -37.98 88.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.022 -0.535 . . . . 0.13 110.325 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.29 -44.53 97.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.322 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.31 -43.01 95.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.044 0.45 . . . . 0.0 110.061 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.62 HE21 ' CD2' ' A' ' 74' ' ' LEU . 46.1 tp60 -60.47 -42.82 97.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.256 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 m -56.86 -42.91 80.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 1.03 110.055 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.67 -41.02 96.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.535 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.38 -37.39 83.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.5 mt -68.5 -39.29 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 1.01 110.908 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -79.69 -15.06 58.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.9 -21.39 28.38 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 64' ' ' GLY . 96.9 m-20 -95.32 -22.13 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 77.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.563 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -72.64 148.55 42.03 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -72.19 116.01 12.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.743 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.09 -7.0 78.97 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' MET . 68.8 mttm -100.25 147.16 26.05 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.762 0.315 . . . . 0.0 110.443 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.475 ' O ' ' O ' ' A' ' 69' ' ' LYS . 67.4 mtt -38.65 157.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.641 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 68' ' ' MET . 48.8 tttp -40.64 -97.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.849 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.8 m -87.27 -149.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.692 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.1 p -136.07 171.76 13.99 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.66 -46.73 80.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.644 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.54 -44.99 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.879 0.371 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.62 ' CD2' HE21 ' A' ' 55' ' ' GLN . 31.8 mt -61.2 -40.18 92.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.012 0.434 . . . . 1.03 110.904 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.3 t -58.89 -47.01 90.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.816 -0.629 . . . . 1.12 110.225 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.88 -46.47 87.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.773 0.32 . . . . 0.0 110.309 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.75 -43.39 98.92 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.53 -0.305 . . . . 1.01 110.641 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.82 -39.15 90.79 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.249 -0.432 . . . . 1.89 110.201 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.6 tp -56.62 -46.56 80.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.33 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.627 ' CE1' ' O1 ' ' D' ' 200' ' ' PO3 . 87.3 m-70 -67.07 -45.97 75.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.355 -0.384 . . . . 0.13 110.685 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.03 -45.99 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.853 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.76 -42.02 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.227 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 22.2 p -64.41 -46.61 82.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.1 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 m -62.23 -48.75 78.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.99 -48.26 80.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.488 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.33 -45.02 96.18 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.06 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.78 83.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.844 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -58.55 -45.43 88.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.161 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.62 -43.66 98.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.093 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.47 -42.68 95.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 0.0 109.884 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.1 mt -60.17 -42.05 88.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.314 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.5 -46.08 84.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.962 0.41 . . . . 0.0 109.895 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.52 -43.84 97.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.599 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.4 mt -59.24 -43.62 92.38 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.17 -42.54 93.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.426 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.22 -39.96 92.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 109.759 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.43 -41.59 98.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.818 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.7 m80 -59.5 -40.25 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.27 -40.91 97.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.157 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.09 -38.31 90.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.177 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.56 -41.83 96.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.365 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -80.59 141.95 34.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.514 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.6 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -57.59 -37.39 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.574 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -62.08 -69.23 0.26 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.466 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' B' ' 3' ' ' GLU . 98.2 mt -38.16 -38.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.418 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.89 -47.06 79.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 1.94 110.38 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.9 mt-10 -67.15 -37.28 83.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.116 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.53 -42.53 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.49 -44.71 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.845 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.8 mtp -59.54 -42.45 92.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.55 -0.537 . . . . 1.05 109.55 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.22 97.96 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.68 -42.46 99.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.813 0.34 . . . . 0.0 110.404 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.456 ' O ' ' OG ' ' B' ' 15' ' ' SER . 92.5 mt -63.07 -44.41 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 1.08 109.708 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.434 HD13 HG22 ' B' ' 13' ' ' ILE . 89.4 mt -63.37 -43.99 98.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 1.02 109.907 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -60.11 -46.16 90.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.89 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' B' ' 12' ' ' ILE . 78.1 p -59.34 -43.07 92.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.125 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.15 -41.84 99.61 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -63.51 -42.99 98.48 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.0 74.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.861 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.2 -46.42 89.8 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -55.03 -44.97 75.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.98 -42.91 99.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.683 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.21 74.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.61 -42.15 91.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.671 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.34 92.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.754 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.66 83.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.669 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.53 -45.69 93.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.361 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.728 ' HZ3' HE21 ' B' ' 31' ' ' GLN . 66.1 tttm -55.57 -42.86 75.33 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.433 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.1 mt-30 -61.74 -41.57 97.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.833 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.43 93.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.724 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.86 -29.27 70.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.022 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.728 HE21 ' HZ3' ' B' ' 27' ' ' LYS . 88.5 mt-30 -79.59 -4.41 51.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.66 13.58 69.71 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -97.92 79.44 2.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 110.319 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -64.91 -35.02 79.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.608 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.08 80.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.763 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.433 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.69 -35.21 80.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.397 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.01 80.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.571 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.05 -42.55 99.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.569 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.52 99.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.44 -41.0 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 4.3 mmt -62.5 -41.43 98.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.538 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.98 -44.51 96.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.03 -41.53 99.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.245 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -60.91 -45.42 94.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.22 -42.52 98.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpp -60.72 -43.98 97.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.277 0.561 . . . . 0.0 110.649 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.33 99.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.76 -40.13 91.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -60.66 -42.16 96.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.332 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.34 -39.63 92.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.14 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.41 81.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.464 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -62.54 -38.12 88.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.066 -0.515 . . . . 0.13 110.326 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.18 -44.33 97.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.318 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.61 -43.33 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.074 0.464 . . . . 0.0 110.026 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.629 HE21 ' CD2' ' B' ' 74' ' ' LEU . 46.4 tp60 -60.04 -42.88 95.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.239 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 12.5 m -56.94 -43.26 81.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 1.03 109.986 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.36 -40.87 95.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.924 0.392 . . . . 0.0 110.525 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.6 -37.35 82.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.1 mt -68.51 -39.26 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.169 -0.469 . . . . 1.01 110.745 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -79.84 -15.18 57.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.529 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.88 -21.16 29.01 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' B' ' 64' ' ' GLY . 97.0 m-20 -95.36 -22.47 17.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.321 . . . . 0.0 110.535 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.5 77.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.413 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . -73.38 148.83 41.24 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -72.19 116.48 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.594 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.67 -6.47 79.97 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' B' ' 68' ' ' MET . 68.9 mttm -100.74 147.33 26.15 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.677 0.275 . . . . 0.0 110.459 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' MET . . . . . 0.473 ' O ' ' O ' ' B' ' 69' ' ' LYS . 67.7 mtt -38.94 156.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.651 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' B' ' 68' ' ' MET . 47.9 tttp -40.47 -98.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 22.7 m -85.44 -150.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.771 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.3 p -135.77 172.87 12.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.583 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.05 -46.23 88.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.492 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.0 -44.41 98.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.598 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.629 ' CD2' HE21 ' B' ' 55' ' ' GLN . 33.3 mt -61.43 -39.56 91.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 1.03 110.975 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 45.6 t -59.12 -47.32 90.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.775 -0.648 . . . . 1.12 110.295 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.664 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.4 t-80 -58.94 -46.18 88.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.86 -0.336 . . . . 2.11 110.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.0 99.98 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.864 0.364 . . . . 1.01 110.399 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.41 -38.82 91.12 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.115 -0.493 . . . . 1.89 110.267 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 39.9 tp -57.08 -46.43 82.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.401 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.664 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 86.9 m-70 -66.97 -45.83 76.49 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.787 -0.365 . . . . 0.14 110.69 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.38 -45.98 92.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -61.49 -42.75 99.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.259 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 22.0 p -63.68 -46.63 84.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.18 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -62.07 -48.73 78.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -58.16 -48.13 81.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.444 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.38 -44.9 96.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.08 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.82 -47.81 83.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.862 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.4 -45.27 88.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.202 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.91 -43.59 98.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.183 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.48 -42.47 95.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.102 0.477 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.27 -42.15 89.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.191 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.52 -45.85 84.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.072 0.463 . . . . 0.0 109.86 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -62.84 -43.68 98.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.473 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.572 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.4 mt -59.33 -43.15 92.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.87 -42.54 95.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.488 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.98 -40.28 92.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.2 -41.91 98.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.867 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -59.25 -40.27 85.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.23 -40.88 97.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.047 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.13 -38.31 90.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.201 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.6 mt -64.48 -41.76 96.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.391 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -80.85 141.91 34.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.524 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.59 -37.69 73.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.598 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.1 mt-10 -61.84 -69.24 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.375 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' C' ' 3' ' ' GLU . 97.6 mt -38.22 -38.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.416 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.86 -47.02 79.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.857 0.361 . . . . 1.94 110.343 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.3 mt-10 -67.13 -37.16 83.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.277 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.67 -42.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.64 -44.64 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.925 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.2 mtp -59.73 -41.96 92.09 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.565 -0.531 . . . . 1.05 109.565 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.3 -42.37 97.82 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.71 -42.46 99.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.397 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.457 ' O ' ' OG ' ' C' ' 15' ' ' SER . 93.1 mt -63.01 -44.38 99.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 1.09 109.677 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.36 -43.67 98.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.011 -0.54 . . . . 1.02 110.084 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -60.74 -45.72 93.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.789 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' C' ' 12' ' ' ILE . 78.3 p -59.43 -43.31 93.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.123 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.26 99.71 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.23 -42.56 99.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.68 76.6 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -60.68 -46.17 91.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -55.26 -44.86 75.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.05 -42.66 99.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.686 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.18 74.9 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.39 -42.29 91.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.492 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.28 92.25 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.71 84.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.593 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.38 -45.85 92.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.46 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . 0.738 ' HZ3' HE21 ' C' ' 31' ' ' GLN . 66.0 tttm -55.35 -43.29 74.88 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.437 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.5 mt-30 -61.53 -41.78 97.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.865 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.73 91.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.771 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.9 -29.01 69.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.091 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.738 HE21 ' HZ3' ' C' ' 27' ' ' LYS . 88.9 mt-30 -79.48 -4.79 52.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.09 13.47 68.83 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.9 79.11 2.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.71 0.29 . . . . 0.0 110.331 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -64.74 -35.12 80.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.532 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.82 81.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.011 0.434 . . . . 0.0 110.642 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . 0.437 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.79 -35.31 80.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.11 79.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.8 -42.8 99.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.72 99.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.38 -40.93 94.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.494 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.85 -40.93 98.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.651 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.4 -44.43 96.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.483 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.99 -41.77 99.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.262 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -60.63 -45.34 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.525 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.38 -42.36 98.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.297 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 9.1 tpp -60.92 -44.21 97.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.332 0.587 . . . . 0.0 110.541 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.84 99.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.318 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.43 -40.01 92.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.769 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -61.16 -41.92 97.63 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.364 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.4 -39.72 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.008 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.7 81.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.421 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.532 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 62.0 t-80 -62.36 -37.97 87.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.14 110.336 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.54 -44.27 97.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.303 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.36 -43.37 94.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.033 0.444 . . . . 0.0 109.92 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.62 HE21 ' CD2' ' C' ' 74' ' ' LEU . 46.3 tp60 -60.11 -43.25 95.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.215 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 11.1 m -56.5 -43.04 79.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 1.03 110.197 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.86 -40.38 95.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.956 0.408 . . . . 0.0 110.512 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.83 -36.99 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.785 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.8 -39.33 79.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.971 -0.559 . . . . 1.01 110.876 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.524 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 -79.79 -14.97 58.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.505 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.75 -21.41 28.71 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' C' ' 64' ' ' GLY . 97.1 m-20 -95.27 -22.38 17.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.77 0.319 . . . . 0.0 110.458 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.51 77.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.411 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' C' ' 62' ' ' ASP . . . -72.79 148.62 41.9 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.14 116.74 12.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.576 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.49 -6.38 80.44 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' C' ' 68' ' ' MET . 68.9 mttm -100.7 147.5 25.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.619 0.247 . . . . 0.0 110.568 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' MET . . . . . 0.469 ' O ' ' O ' ' C' ' 69' ' ' LYS . 67.2 mtt -39.36 157.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.571 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' C' ' 68' ' ' MET . 47.8 tttp -40.65 -97.95 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 22.6 m -85.63 -151.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.784 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 21.3 p -135.02 174.71 10.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.485 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 42.3 tp -58.82 -46.72 86.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.697 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.15 -44.68 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 130.077 3.351 . . . . 0.0 110.558 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.62 ' CD2' HE21 ' C' ' 55' ' ' GLN . 38.5 mt -63.24 -39.18 93.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.077 0.465 . . . . 1.03 111.087 177.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 45.7 t -59.83 -47.47 91.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.726 -0.67 . . . . 1.13 110.221 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.649 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.4 t-80 -59.38 -46.1 89.6 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.893 -0.323 . . . . 1.96 110.292 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.48 98.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.851 0.358 . . . . 1.01 110.421 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -62.05 -38.97 90.75 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.17 -0.468 . . . . 1.89 110.238 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 38.3 tp -56.85 -46.51 81.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.493 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.649 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 87.1 m-70 -67.0 -45.91 76.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.415 . . . . 0.13 110.764 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.11 -45.94 92.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.83 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.68 -42.21 98.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.373 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 23.0 p -64.27 -46.85 81.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.175 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.8 m -61.65 -48.92 78.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.92 -48.6 79.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.502 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.99 -45.18 95.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.171 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.4 -48.12 81.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.962 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.1 -45.69 86.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.216 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.27 -44.01 97.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.13 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.16 -42.87 96.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.185 0.517 . . . . 0.0 110.015 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 75.0 mt -60.04 -42.14 88.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.385 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.47 -45.9 84.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.067 0.46 . . . . 0.0 109.936 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.63 -44.19 96.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.497 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.3 mt -58.88 -43.37 90.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.283 0.563 . . . . 0.0 109.524 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.41 -43.09 96.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.574 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.22 -40.62 90.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.08 0.466 . . . . 0.0 109.796 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.93 -41.75 98.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.905 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.0 m80 -59.58 -40.18 86.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.744 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.21 -40.71 97.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.045 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.19 -38.32 90.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.69 -41.74 95.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.35 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -80.66 141.78 34.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.47 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.551 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.513 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 121.866 0.841 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.81 143.03 36.66 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.27 38.45 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.992 -1.067 . . . . 0.0 109.593 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.06 149.15 28.51 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.19 152.28 18.98 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.062 -1.024 . . . . 0.0 108.425 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.8 144.29 19.31 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.58 136.59 36.89 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.12 0.962 . . . . 0.0 110.142 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.32 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.91 -4.27 19.32 Favored 'General case' 0 C--N 1.266 -3.052 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.9 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.44 141.75 85.9 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.664 -1.897 . . . . 0.0 110.666 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.42 -47.67 12.73 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 124.732 3.621 . . . . 0.0 114.223 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.532 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 97.6 m-20 -102.1 27.46 6.61 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 116.058 -2.257 . . . . 0.0 108.842 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.44 -126.4 27.78 Favored Glycine 0 N--CA 1.496 2.646 0 C-N-CA 117.713 -2.184 . . . . 0.0 109.595 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.57 78.0 1.81 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.95 -1.324 . . . . 0.0 109.563 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -84.52 176.84 8.37 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 117.851 -1.54 . . . . 0.0 112.095 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.533 ' OG1' ' O1 ' ' D' ' 200' ' ' PO3 . 77.1 p -23.34 -69.95 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.24 2.311 . . . . 0.0 117.24 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -45.73 -65.58 0.64 Allowed Pre-proline 0 N--CA 1.492 1.654 0 C-N-CA 120.193 -0.603 . . . . 0.0 112.514 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.57 -32.25 59.0 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.591 1.527 . . . . 0.0 111.501 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.9 86.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.227 -0.92 . . . . 0.0 109.471 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.77 72.73 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.99 -39.35 93.93 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.906 -1.517 . . . . 0.0 109.47 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.538 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.66 -45.39 93.03 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 122.627 1.203 . . . . 0.0 108.648 -177.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.57 -42.29 95.34 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.222 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.681 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -63.81 -40.33 96.37 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.24 -0.912 . . . . 0.0 109.842 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.68 80.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.477 -0.765 . . . . 0.0 109.641 177.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.96 91.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.63 -1.294 . . . . 0.0 109.466 178.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.31 -16.28 44.18 Favored 'General case' 0 N--CA 1.51 2.565 0 O-C-N 121.303 -0.873 . . . . 0.0 113.251 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.56 86.13 Favored Glycine 0 N--CA 1.479 1.566 0 O-C-N 119.919 -1.738 . . . . 0.0 109.278 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.36 32.82 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.192 -1.77 . . . . 0.0 110.022 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.7 p -75.61 -30.06 59.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.259 -0.9 . . . . 0.0 112.31 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.88 158.55 10.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 119.778 -1.826 . . . . 0.0 112.802 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.92 130.26 35.41 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 102.853 -3.017 . . . . 0.0 102.853 171.292 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.58 60.4 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.373 0 CA-C-O 122.197 0.999 . . . . 0.0 109.281 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.407 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.87 143.22 50.95 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 123.009 1.385 . . . . 0.0 110.058 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.407 ' N ' HG23 ' D' ' 334' ' ' THR . 86.0 t -108.13 129.94 61.52 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.738 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 173.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.407 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.4 m -127.43 119.48 26.24 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.757 -1.214 . . . . 0.0 109.043 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.45 122.55 39.23 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.528 -0.733 . . . . 0.0 109.933 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.89 24.23 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.841 -1.162 . . . . 0.0 112.761 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.74 11.0 83.47 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 119.985 -1.697 . . . . 0.0 112.455 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.81 136.33 54.51 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 177.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.89 158.53 33.28 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-O 123.826 1.774 . . . . 0.0 112.433 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.65 151.36 31.38 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 112.515 -2.129 . . . . 0.0 108.599 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.639 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.58 135.96 48.87 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 173.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.9 -6.8 47.6 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.727 -1.233 . . . . 0.0 110.744 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.639 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.51 12.97 31.58 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.703 -1.248 . . . . 0.0 109.4 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.9 t -133.1 104.11 6.36 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.134 0.968 . . . . 0.0 110.128 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.22 -37.86 72.9 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.948 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -58.88 -51.42 70.11 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.558 -1.339 . . . . 0.0 113.045 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.49 70.66 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 119.526 -1.984 . . . . 0.0 109.149 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.61 75.57 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 118.877 -1.129 . . . . 0.0 109.997 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.524 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.73 -10.4 52.2 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.676 -0.64 . . . . 0.0 109.96 -177.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 38.1 p -89.8 -7.72 53.74 Favored 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 118.167 -1.413 . . . . 0.0 110.945 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.4 159.36 15.28 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.137 -0.977 . . . . 0.0 110.126 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.73 104.9 2.97 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 106.857 -2.497 . . . . 0.0 106.857 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.5 mt -119.63 47.39 1.72 Allowed 'General case' 0 C--N 1.308 -1.211 0 O-C-N 120.668 -1.489 . . . . 0.0 107.409 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.4 p -81.41 172.56 13.39 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.814 -1.155 . . . . 0.0 109.192 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.79 140.9 57.45 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 119.341 -0.943 . . . . 0.0 109.79 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.52 -3.28 78.72 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 119.949 -1.119 . . . . 0.0 111.363 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.4 135.94 34.07 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.909 -1.348 . . . . 0.0 110.615 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.58 123.69 48.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.14 160.13 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 C-N-CA 117.322 -1.751 . . . . 0.0 110.665 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.407 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.89 128.34 54.83 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.56 -1.337 . . . . 0.0 107.609 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.9 121.39 60.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.25 50.71 Favored 'General case' 0 C--N 1.286 -2.179 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.46 47.22 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 118.497 -1.281 . . . . 0.0 109.747 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.84 6.44 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 118.529 -1.268 . . . . 0.0 108.031 178.151 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.23 -170.32 40.15 Favored Glycine 0 C--N 1.295 -1.706 0 C-N-CA 118.055 -2.021 . . . . 0.0 110.383 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.34 -40.72 82.89 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-N 114.414 -0.893 . . . . 0.0 112.158 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -113.97 36.76 3.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 118.967 -2.333 . . . . 0.0 108.544 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.32 -33.64 65.78 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -174.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.426 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.84 -45.64 27.74 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.54 -1.975 . . . . 0.0 110.95 -176.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.786 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.78 97.85 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.58 77.35 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.514 -1.675 . . . . 0.0 110.042 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.86 -42.27 88.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 CA-C-O 122.171 0.986 . . . . 0.0 109.183 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.88 -47.84 76.65 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-O 122.029 0.919 . . . . 0.0 108.774 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.786 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.81 -38.3 76.56 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.69 -178.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.7 mt -75.65 -28.63 58.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.369 -1.457 . . . . 0.0 110.836 -174.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.49 -39.49 70.89 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.454 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.22 63.06 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.19 -45.21 83.95 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.061 -1.056 . . . . 0.0 110.569 177.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.44 -37.3 85.33 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.876 -1.14 . . . . 0.0 111.536 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.97 -31.77 61.54 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.031 -1.043 . . . . 0.0 110.191 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.88 -32.33 45.81 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.52 -0.737 . . . . 0.0 111.317 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.98 125.45 12.07 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 124.266 1.984 . . . . 0.0 112.874 178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.9 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.3 tt0 . . . . . 0 C--N 1.277 -2.569 0 CA-C-N 111.153 -2.748 . . . . 0.0 110.121 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.627 ' O1 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.33 139.01 58.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.523 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' GLU . 78.8 mm-40 -61.68 136.81 58.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.495 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 3' ' ' GLU . 93.6 mt -37.73 -37.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -46.13 83.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.972 0.415 . . . . 1.94 110.421 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 3' ' ' GLU . 78.9 mm-40 -68.67 -34.79 76.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.246 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.73 -42.85 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.389 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.43 -43.5 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.944 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.96 -42.31 89.58 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.52 -0.548 . . . . 1.04 109.52 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -41.67 97.65 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -43.03 99.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.245 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.95 -43.88 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 1.05 109.781 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' CD1' ' CE ' ' D' ' 324' ' ' LYS . 88.5 mt -64.08 -44.4 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 1.02 109.948 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 14' ' ' ASN . 47.5 t-20 -60.92 -47.01 88.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.74 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.0 m -59.35 -43.43 92.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.043 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -42.12 98.98 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -64.3 -44.55 91.3 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.31 77.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.851 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -60.41 -46.97 88.1 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -54.49 -43.73 72.03 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.19 -42.28 99.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.705 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.74 76.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -60.03 -42.3 94.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.538 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.3 93.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.745 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.58 85.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.64 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -45.37 94.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.442 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.47 -42.15 73.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.32 -41.48 97.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.771 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.71 94.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.787 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.49 -29.22 69.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.182 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.45 -4.67 54.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.489 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.71 14.67 69.75 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.34 79.34 2.52 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.737 0.303 . . . . 0.0 110.304 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -64.28 -34.64 78.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.699 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.5 -49.07 76.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.062 0.458 . . . . 0.0 110.753 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.21 80.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.366 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.04 80.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.27 -42.28 99.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.525 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.64 98.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mmm -65.35 -40.8 94.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.499 ' O ' ' OG ' ' A' ' 44' ' ' SER . 91.1 mmm -63.01 -41.12 99.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.681 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.73 -43.35 99.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.013 0.435 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.06 -40.52 97.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.167 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.94 -45.57 93.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.549 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.07 -42.44 94.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.32 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 89.5 mmm -61.55 -42.72 99.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.235 0.54 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.95 95.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.215 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.37 -39.86 92.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.624 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -61.14 -41.53 96.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.266 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.56 -39.65 91.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.186 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.09 -45.26 74.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.481 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.14 -39.44 90.06 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.13 110.385 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.26 -44.17 95.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.8 -43.32 93.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.062 0.458 . . . . 0.0 110.031 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.419 HE21 HD22 ' A' ' 74' ' ' LEU . 67.6 tp60 -59.74 -43.96 94.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.314 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -56.44 -42.71 78.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 1.03 110.062 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.58 -40.37 91.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.399 . . . . 0.0 110.52 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.53 -37.8 87.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.642 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.2 mt -73.54 -37.07 49.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 1.01 110.851 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -80.36 -14.85 58.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.37 -20.11 23.65 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -93.07 -25.69 17.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.802 0.334 . . . . 0.0 110.578 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.51 88.99 5.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.44 -177.53 37.17 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -72.37 117.92 14.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.704 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.76 1.19 89.2 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -102.8 147.69 26.55 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.782 0.325 . . . . 0.0 110.426 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.5 mtm -76.03 142.94 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -87.68 -8.55 55.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.17 115.67 38.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.755 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p -128.65 161.22 30.16 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.06 -45.77 86.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.625 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.89 -47.53 87.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.856 0.36 . . . . 0.0 110.503 -179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.419 HD22 HE21 ' A' ' 55' ' ' GLN . 87.6 mt -64.07 -43.02 96.7 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.027 0.441 . . . . 1.03 110.936 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.96 -46.85 93.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.802 -0.636 . . . . 1.12 110.167 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.18 -46.32 90.11 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.272 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.41 96.34 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.772 0.32 . . . . 1.01 110.658 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.04 -38.81 90.15 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.222 -0.444 . . . . 1.89 110.175 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 42.8 tp -55.98 -46.82 78.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.378 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -67.24 -45.93 75.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.337 -0.392 . . . . 0.13 110.74 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.22 -46.23 91.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.813 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.91 -43.08 99.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.176 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.3 p -63.78 -45.92 87.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.098 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.4 t -62.88 -48.94 76.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.458 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.654 ' CE ' HH12 ' B' ' 19' ' ' ARG . 51.6 ttp -57.92 -47.67 82.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.591 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.61 -44.71 96.49 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.088 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.51 -48.14 80.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -58.85 -45.3 90.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.123 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 85' ' ' MET . 1.2 mp0 -60.69 -44.13 96.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.085 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.26 -42.58 96.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.192 0.52 . . . . 0.0 109.889 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.4 HG23 HD11 ' A' ' 91' ' ' ILE . 77.0 mt -59.93 -41.47 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.208 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.479 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 99.0 m -57.2 -45.93 83.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.066 0.46 . . . . 0.0 109.906 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.62 -43.49 96.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.612 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.7 mt -59.68 -43.98 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.37 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.54 -43.04 96.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.518 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.38 -40.16 89.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.74 -42.23 99.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.886 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.567 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -59.65 -40.34 87.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 102' ' ' LYS . 83.8 tt0 -62.49 -40.63 97.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.139 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.58 -38.69 91.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.32 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.35 -41.73 96.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.439 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 99' ' ' GLU . 64.8 mttp -91.89 141.82 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.5 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.551 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.03 138.95 58.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.552 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.2 mm-40 -61.79 136.94 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.458 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' B' ' 3' ' ' GLU . 94.0 mt -37.75 -37.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.529 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.0 -46.18 82.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.946 0.403 . . . . 1.94 110.32 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 3' ' ' GLU . 79.0 mm-40 -68.61 -34.72 76.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.211 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.1 t -63.99 -42.67 96.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.382 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.63 -43.23 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.933 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.12 -42.3 90.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.577 -0.527 . . . . 1.05 109.577 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.01 -41.39 97.3 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.154 -1.179 . . . . 0.0 110.154 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.93 -42.94 99.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.01 -44.04 99.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.997 -0.547 . . . . 1.08 109.693 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.93 -44.5 97.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.963 -0.562 . . . . 1.02 109.885 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.412 ' C ' ' OD1' ' B' ' 14' ' ' ASN . 47.6 t-20 -60.9 -46.8 89.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.86 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.7 m -59.37 -43.53 92.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.109 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -42.03 99.13 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -64.39 -44.58 90.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.27 77.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.925 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.654 HH12 ' CE ' ' A' ' 85' ' ' MET . 73.1 ttt180 -60.5 -46.98 88.15 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.5 m -54.57 -43.46 72.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.32 -42.4 98.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.706 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -49.83 76.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.86 -42.5 93.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.639 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.55 92.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.68 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -42.72 85.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.599 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.23 -45.62 93.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.286 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.42 -41.99 73.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.4 -41.41 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.872 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.83 94.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.78 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.46 -29.3 69.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.031 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.51 -4.46 53.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.373 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.42 14.67 70.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -98.16 79.46 2.58 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.755 0.312 . . . . 0.0 110.36 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -64.65 -34.55 78.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.567 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.96 77.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 0.0 110.762 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.16 -34.88 79.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.391 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.16 79.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.14 -42.65 99.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.549 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.61 99.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.697 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.66 -40.7 92.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.481 ' O ' ' OG ' ' B' ' 44' ' ' SER . 91.0 mmm -63.18 -41.02 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.554 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -62.84 -43.29 99.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -63.03 -40.74 98.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.247 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.1 p -61.69 -45.49 93.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.473 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -60.38 -42.22 95.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.323 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.57 -43.01 99.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.312 0.577 . . . . 0.0 110.647 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.02 95.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.166 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.19 -40.1 93.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.716 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -61.0 -41.72 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.285 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.37 -39.71 92.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.153 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.91 -45.72 73.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.482 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -60.56 -39.6 88.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.13 110.28 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.3 -44.28 95.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.326 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.66 -43.57 93.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.016 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.401 HE21 HD22 ' B' ' 74' ' ' LEU . 67.3 tp60 -59.5 -44.09 93.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.313 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.9 m -56.18 -43.01 78.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.03 110.026 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.68 -39.89 90.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.94 0.4 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.86 -38.02 87.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.16 -37.07 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.038 -0.528 . . . . 1.01 110.764 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -80.54 -15.22 57.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.554 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.75 -20.45 24.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -93.06 -25.5 17.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.563 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.91 89.52 5.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.411 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.59 -176.94 37.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -72.71 117.86 14.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.612 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.74 1.61 89.44 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -102.9 148.25 25.89 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.676 0.274 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.6 mtm -77.02 143.21 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.64 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -87.92 -7.94 56.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.762 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 48.4 t -99.69 115.25 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -128.26 162.92 25.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.584 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.16 -45.47 92.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.557 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.99 -47.01 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.612 -178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.401 HD22 HE21 ' B' ' 55' ' ' GLN . 87.6 mt -64.53 -42.35 95.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.096 0.474 . . . . 1.03 110.957 -178.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.3 -46.92 94.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.835 -0.62 . . . . 1.12 110.314 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -60.13 -46.59 89.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.883 -0.327 . . . . 2.11 110.287 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.22 94.19 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.907 0.384 . . . . 1.01 110.384 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.18 -39.04 88.66 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.2 -0.455 . . . . 1.89 110.272 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 42.3 tp -55.96 -46.75 78.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.341 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -67.21 -46.0 75.16 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.8 -0.36 . . . . 0.14 110.669 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.06 -46.33 91.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.909 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.93 -43.02 99.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.299 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.8 p -63.7 -45.98 87.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.152 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 37.7 t -62.39 -49.48 75.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.661 ' CE ' HH12 ' C' ' 19' ' ' ARG . 53.2 ttp -57.32 -48.14 79.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.494 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.33 -44.74 96.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.105 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.24 80.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -58.71 -44.94 90.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.482 ' OE1' ' O ' ' B' ' 85' ' ' MET . 1.2 mp0 -61.02 -44.16 97.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.162 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.26 -42.36 96.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 110.036 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . 0.42 HD11 HG23 ' B' ' 91' ' ' ILE . 77.7 mt -59.9 -41.57 86.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.195 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.471 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 98.2 m -57.3 -45.68 83.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.07 0.462 . . . . 0.0 109.879 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.61 -43.9 95.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.485 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 87.5 mt -59.22 -44.43 92.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.401 HD11 HG21 ' B' ' 95' ' ' ILE . 91.5 mt -61.38 -42.84 95.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.49 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.41 -40.66 91.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.3 -42.16 99.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.835 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.5 m80 -59.75 -40.52 88.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' B' ' 102' ' ' LYS . 83.6 tt0 -62.38 -40.6 96.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.118 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.71 -38.7 91.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.165 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.5 mt -64.35 -42.05 96.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.386 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' B' ' 99' ' ' GLU . 65.0 mttp -91.62 141.73 28.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.618 -179.894 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.85 139.0 58.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.638 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.2 mm-40 -61.8 136.99 58.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.385 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' C' ' 3' ' ' GLU . 93.4 mt -37.75 -37.19 0.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.442 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.29 -46.02 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 1.94 110.405 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' C' ' 3' ' ' GLU . 78.5 mm-40 -68.61 -34.41 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.349 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.11 -42.89 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.4 -43.2 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.997 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -59.4 -41.69 90.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.567 -0.531 . . . . 1.05 109.567 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.23 -41.83 96.63 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.69 -42.9 99.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.421 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.86 -43.98 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 1.09 109.713 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.1 -44.49 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 1.02 110.071 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 47.2 t-20 -60.79 -46.62 89.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.789 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 m -59.76 -43.56 94.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.223 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.36 -42.12 99.24 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.159 -1.177 . . . . 0.0 110.159 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -64.14 -45.0 90.41 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.56 -49.66 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.661 HH12 ' CE ' ' B' ' 85' ' ' MET . 73.7 ttt180 -60.0 -47.31 86.34 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -54.27 -43.62 71.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.29 -42.6 99.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.692 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.98 75.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.91 -42.38 93.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.485 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.19 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.728 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.71 86.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.631 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.28 -45.41 94.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.478 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.76 -41.98 74.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.577 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.34 -41.39 96.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.898 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -42.65 93.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.773 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.69 -29.12 69.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.047 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.44 -4.81 55.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.45 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.8 14.7 69.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -98.32 79.44 2.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.73 0.3 . . . . 0.0 110.256 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -64.71 -34.5 78.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.585 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.87 77.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.962 0.41 . . . . 0.0 110.622 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.23 80.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.381 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.76 -48.3 79.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.451 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.12 -42.58 99.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.583 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.8 99.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.756 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.9 mmm -65.55 -40.67 93.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 0.0 110.588 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.502 ' O ' ' OG ' ' C' ' 44' ' ' SER . 91.4 mmm -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.613 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.61 -43.52 98.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.402 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.96 -40.54 97.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' C' ' 41' ' ' MET . 80.3 p -61.86 -45.47 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.34 -42.03 94.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.399 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 89.0 mmm -61.91 -42.65 99.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.382 0.61 . . . . 0.0 110.521 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.21 95.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.351 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.15 -40.04 93.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.781 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.06 -41.35 96.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.359 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.44 -40.26 93.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.095 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.26 75.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.41 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.728 ' CD2' HD21 ' D' ' 312' ' ' ASN . 84.2 t60 -60.96 -39.6 90.14 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.02 -0.537 . . . . 0.14 110.342 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.47 -44.08 96.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.311 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.76 -43.52 93.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.922 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.435 HE21 HD22 ' C' ' 74' ' ' LEU . 67.2 tp60 -59.45 -44.33 92.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.259 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.25 -42.8 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.386 . . . . 1.03 110.108 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.81 -39.73 90.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.359 . . . . 0.0 110.49 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.72 -38.1 88.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.772 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.14 -37.31 52.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.047 -0.524 . . . . 1.01 110.82 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.552 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.8 mm-40 -80.25 -15.01 57.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.462 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.93 -20.63 23.27 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -93.0 -25.46 17.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.499 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.89 89.81 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.91 -176.87 36.59 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -72.52 117.71 14.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.595 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.85 1.39 89.57 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.75 148.12 25.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.617 0.246 . . . . 0.0 110.545 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.5 mtm -76.81 143.53 39.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -88.26 -7.75 56.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 48.2 t -99.44 115.08 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.722 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 12.6 p -127.18 165.37 19.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.534 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.03 -44.38 96.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.682 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.58 -47.33 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 130.066 3.346 . . . . 0.0 110.64 -178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.435 HD22 HE21 ' C' ' 55' ' ' GLN . 89.0 mt -66.67 -42.05 87.16 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.193 -0.458 . . . . 1.03 110.969 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.76 -47.31 93.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.778 -0.647 . . . . 1.13 110.272 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -60.11 -46.74 88.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.868 -0.333 . . . . 1.96 110.304 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -45.18 94.38 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.916 0.389 . . . . 1.01 110.413 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -61.13 -39.06 88.61 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.201 -0.454 . . . . 1.89 110.281 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.76 -46.85 77.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -67.32 -45.5 76.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.31 -0.405 . . . . 0.13 110.701 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.68 -46.05 91.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.875 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.85 -43.15 99.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.332 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.6 p -63.89 -45.39 89.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.162 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 38.6 t -63.28 -48.79 76.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.495 ' O ' ' OE1' ' C' ' 89' ' ' GLU . 53.5 ttp -57.9 -47.97 81.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.527 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.48 -44.69 96.64 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.63 78.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.016 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.408 ' HE ' ' HG ' ' C' ' 44' ' ' SER . 69.5 ttt-85 -58.42 -45.17 88.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.224 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' C' ' 85' ' ' MET . 1.2 mp0 -60.73 -44.29 96.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.126 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.39 -42.39 96.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.23 0.538 . . . . 0.0 110.029 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . 0.412 HD11 HG23 ' C' ' 91' ' ' ILE . 76.2 mt -59.78 -41.63 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.374 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.485 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 97.8 m -57.18 -45.63 83.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.08 0.467 . . . . 0.0 109.981 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.71 -43.61 96.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.48 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.7 mt -59.6 -44.12 93.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.45 -43.08 96.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.531 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.9 -40.9 90.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.722 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.04 -42.74 99.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.91 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.9 m80 -59.27 -40.62 86.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.735 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.5 tt0 -62.3 -40.85 97.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.068 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.34 -38.66 91.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.229 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.33 -42.36 96.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.339 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.7 mttp -91.32 141.81 28.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.361 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.461 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.695 0 CA-C-O 121.846 0.831 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.1 t80 -139.77 142.99 36.71 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.92 156.33 38.71 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.0 -1.063 . . . . 0.0 109.548 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.2 149.19 28.46 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.33 18.93 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.047 -1.033 . . . . 0.0 108.395 178.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.89 144.31 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.73 136.57 37.07 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.162 0.982 . . . . 0.0 110.122 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.88 114.31 24.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.85 -4.32 19.37 Favored 'General case' 0 C--N 1.264 -3.134 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.901 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.82 85.75 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 119.726 -1.859 . . . . 0.0 110.654 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.49 -47.69 12.83 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 124.802 3.668 . . . . 0.0 114.141 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.728 HD21 ' CD2' ' C' ' 52' ' ' HIS . 10.6 m120 -102.17 27.61 6.53 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 116.043 -2.263 . . . . 0.0 108.745 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 71.5 -95.18 0.6 Allowed Glycine 0 N--CA 1.497 2.732 0 C-N-CA 117.685 -2.198 . . . . 0.0 109.55 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . 0.524 ' CD1' ' O ' ' D' ' 314' ' ' LEU . 0.8 OUTLIER -170.0 57.2 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.865 -1.374 . . . . 0.0 109.521 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.457 ' O ' ' O ' ' D' ' 314' ' ' LEU . 0.4 OUTLIER -52.05 -174.89 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 117.877 -1.529 . . . . 0.0 112.13 -178.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.502 ' OG1' ' O2 ' ' D' ' 200' ' ' PO3 . 12.3 p -28.84 -66.78 0.08 Allowed 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -176.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' D' ' 316' ' ' THR . 37.9 ttt-85 -42.67 -66.97 0.37 Allowed Pre-proline 0 N--CA 1.493 1.718 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.495 -177.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.37 -32.17 61.24 Favored 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.568 1.512 . . . . 0.0 111.534 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.87 86.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.254 -0.903 . . . . 0.0 109.451 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.73 72.75 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.97 -39.37 93.97 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 118.024 -1.471 . . . . 0.0 109.503 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.67 -45.34 93.23 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 122.593 1.187 . . . . 0.0 108.705 -177.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.63 -42.24 95.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.276 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.726 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.404 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 60.0 mttm -63.83 -40.24 96.12 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.323 -0.861 . . . . 0.0 109.811 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.465 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.75 80.0 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.473 -0.767 . . . . 0.0 109.578 177.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.04 91.76 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.575 -1.328 . . . . 0.0 109.426 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.23 -16.29 43.56 Favored 'General case' 0 N--CA 1.511 2.577 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.51 86.1 Favored Glycine 0 N--CA 1.479 1.543 0 O-C-N 119.905 -1.747 . . . . 0.0 109.318 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.25 32.97 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.242 -1.74 . . . . 0.0 110.013 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.53 -30.17 59.68 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.193 -0.942 . . . . 0.0 112.285 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.66 158.52 9.97 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 119.742 -1.849 . . . . 0.0 112.81 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.19 35.3 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 102.85 -3.018 . . . . 0.0 102.85 171.224 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.67 136.61 60.31 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 CA-C-O 122.185 0.993 . . . . 0.0 109.325 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.409 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.96 143.17 51.02 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 123.137 1.446 . . . . 0.0 109.991 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.409 ' N ' HG23 ' D' ' 334' ' ' THR . 86.2 t -108.01 129.99 61.26 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 N-CA-C 105.507 -2.034 . . . . 0.0 105.507 173.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.52 119.6 26.41 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.838 -1.164 . . . . 0.0 108.927 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.57 122.57 39.18 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.921 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.86 38.86 24.53 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.899 -1.126 . . . . 0.0 112.762 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 11.02 83.55 Favored Glycine 0 N--CA 1.503 3.106 0 O-C-N 119.95 -1.719 . . . . 0.0 112.534 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.27 54.54 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.79 158.57 33.02 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-O 123.802 1.763 . . . . 0.0 112.448 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.4 31.39 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.442 -2.163 . . . . 0.0 108.581 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.64 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 7.9 t -70.61 136.08 48.91 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 173.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.07 -6.76 47.7 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 120.751 -1.218 . . . . 0.0 110.691 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.64 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.48 12.9 31.76 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.59 -1.319 . . . . 0.0 109.406 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.0 t -133.01 104.19 6.42 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.158 0.98 . . . . 0.0 110.106 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.22 -37.89 72.92 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.007 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -58.92 -51.3 70.65 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.549 -1.345 . . . . 0.0 113.05 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.45 70.48 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.588 -1.945 . . . . 0.0 109.199 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 mt -62.72 -33.81 75.87 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.965 -1.094 . . . . 0.0 109.902 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.552 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.72 -10.32 51.49 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.636 -0.665 . . . . 0.0 109.973 -177.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.3 p -89.84 -7.69 53.73 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 118.052 -1.459 . . . . 0.0 110.961 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.33 159.36 15.3 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.248 -0.907 . . . . 0.0 110.197 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.82 2.97 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 106.897 -2.481 . . . . 0.0 106.897 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 78.1 mt -119.59 47.44 1.71 Allowed 'General case' 0 C--N 1.309 -1.18 0 O-C-N 120.726 -1.456 . . . . 0.0 107.431 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 5.0 p -81.49 172.48 13.46 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.196 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.62 140.91 57.23 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.851 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.22 79.01 Favored Glycine 0 N--CA 1.5 2.931 0 C-N-CA 120.029 -1.082 . . . . 0.0 111.35 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.45 135.95 34.05 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.917 -1.343 . . . . 0.0 110.601 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.3 t -96.49 123.72 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.3 m -112.22 160.11 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 117.328 -1.749 . . . . 0.0 110.578 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.3 m -108.89 128.38 54.87 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.536 -1.352 . . . . 0.0 107.646 175.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.83 121.36 60.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 176.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.21 50.7 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.63 153.4 47.32 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.828 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.85 6.44 Favored 'General case' 0 C--N 1.288 -2.093 0 C-N-CA 118.561 -1.255 . . . . 0.0 107.994 178.173 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.37 40.14 Favored Glycine 0 C--N 1.296 -1.658 0 C-N-CA 117.955 -2.069 . . . . 0.0 110.362 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.29 -40.7 82.62 Favored 'General case' 0 C--N 1.274 -2.675 0 CA-C-N 114.381 -0.909 . . . . 0.0 112.16 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.7 3.57 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 115.864 -2.334 . . . . 0.0 108.59 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.45 65.71 Favored 'General case' 0 N--CA 1.522 3.138 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -174.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.42 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.69 26.86 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 119.619 -1.925 . . . . 0.0 110.926 -176.59 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.787 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.47 -40.77 98.01 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 106.978 -1.489 . . . . 0.0 106.978 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.55 77.45 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 117.478 -1.689 . . . . 0.0 110.054 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.84 -42.15 88.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-O 122.172 0.987 . . . . 0.0 109.295 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.89 -47.93 76.52 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-O 122.097 0.951 . . . . 0.0 108.708 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.787 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.85 -38.27 76.41 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.684 -178.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.69 -28.57 58.7 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.331 -1.481 . . . . 0.0 110.839 -174.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.52 71.08 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.22 63.04 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.465 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.24 -45.26 84.09 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 119.044 -1.062 . . . . 0.0 110.485 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.34 -37.38 85.44 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.924 -1.11 . . . . 0.0 111.558 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.66 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.132 -0.98 . . . . 0.0 110.275 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.88 -32.24 45.82 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.575 -0.703 . . . . 0.0 111.354 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.14 125.5 12.44 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 124.302 2.001 . . . . 0.0 112.843 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.901 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.4 mm-40 . . . . . 0 C--N 1.277 -2.557 0 CA-C-N 111.055 -2.793 . . . . 0.0 110.15 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.502 ' O2 ' ' OG1' ' D' ' 316' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -71.49 151.35 43.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.486 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.6 mt-10 -62.31 -70.14 0.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.475 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 3' ' ' GLU . 96.5 mt -37.6 -38.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.441 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.36 -46.33 80.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.919 0.39 . . . . 1.94 110.276 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' GLU . 79.5 mm-40 -67.72 -37.08 81.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.276 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.5 -42.3 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.427 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.0 t -60.49 -44.34 96.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.912 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.7 mtp -58.94 -42.42 89.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.514 -0.55 . . . . 1.04 109.514 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.21 -41.98 98.11 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.2 -43.33 98.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.14 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.16 -44.43 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 1.05 109.733 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG21 HD11 ' A' ' 13' ' ' ILE . 85.5 mt -63.75 -43.93 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.02 109.955 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -61.49 -46.28 90.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.786 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -61.05 -43.56 98.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.951 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.58 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -64.02 -44.82 95.34 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.134 -1.187 . . . . 0.0 110.134 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -63.51 -44.25 94.86 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.1 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.868 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.52 -46.74 87.98 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.8 m -55.13 -44.74 75.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.72 -42.81 97.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.724 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.21 -51.37 70.27 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.52 -41.29 89.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.587 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.85 89.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.775 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.69 88.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.671 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.12 -45.1 96.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.477 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.56 -42.34 74.53 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.74 -40.9 94.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.823 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.45 94.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.689 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.6 -28.7 69.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.187 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.9 -4.67 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.447 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.51 59.93 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -102.32 77.93 1.7 Allowed 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.75 0.31 . . . . 0.0 110.246 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CE1' ' OE1' ' A' ' 99' ' ' GLU . 91.7 m-85 -65.21 -33.79 76.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.652 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.02 -48.34 79.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.115 0.483 . . . . 0.0 110.745 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.31 80.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.369 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.25 77.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.606 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.21 -43.83 98.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.63 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.65 98.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.821 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.1 mtt -65.4 -40.3 93.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.455 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.454 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 89.3 mmm -63.62 -41.4 98.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.59 -45.24 93.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.032 0.444 . . . . 0.0 110.555 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.9 -41.5 97.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.247 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 m -61.4 -45.37 94.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HA ' HH11 ' A' ' 88' ' ' ARG . 70.9 ttt180 -60.82 -42.74 98.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.306 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.77 -44.22 97.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.209 0.528 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.0 -39.97 90.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.758 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.16 -42.71 95.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.267 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.74 -39.26 93.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.198 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -44.25 77.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.462 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -62.08 -38.83 90.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.13 110.363 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.6 mt -60.65 -44.23 96.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.347 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.16 -43.3 95.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 0.0 110.013 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -60.13 -43.34 95.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.221 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.6 m -57.03 -42.84 81.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 1.03 109.979 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.6 -39.41 93.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.956 0.408 . . . . 0.0 110.56 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.97 -28.28 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.687 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -89.87 -31.17 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 1.01 110.8 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' A' ' 61' ' ' GLY . 80.4 mm-40 -81.69 -7.0 59.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.601 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 60' ' ' GLU . . . -48.85 -174.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -88.42 107.87 19.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.581 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.64 144.49 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.48 164.06 48.58 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.71 117.06 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 110.715 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.53 7.74 88.27 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -97.85 147.8 24.06 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.629 0.252 . . . . 0.0 110.451 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.8 mtt -76.53 152.43 36.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -77.05 -6.65 53.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.949 0.404 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 m -107.9 131.41 58.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.726 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 p -130.16 162.86 27.9 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.06 -42.02 84.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.596 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.4 -46.53 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.896 0.379 . . . . 0.0 110.551 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.09 -42.42 96.94 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.996 0.427 . . . . 1.03 110.879 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.93 -47.08 93.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.793 -0.64 . . . . 1.12 110.233 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -60.15 -45.26 93.67 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.29 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.81 89.87 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.772 0.32 . . . . 1.01 110.6 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -61.97 -39.91 93.78 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 116.179 -0.464 . . . . 1.89 110.17 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.8 tp -56.22 -46.54 79.48 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.375 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.604 ' NE2' ' O3 ' ' D' ' 200' ' ' PO3 . 73.8 m-70 -67.68 -46.17 73.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.296 -0.411 . . . . 0.13 110.723 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.06 -46.56 88.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.782 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.425 ' SD ' ' CD2' ' B' ' 79' ' ' LEU . 80.7 mtp -61.07 -43.91 98.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.195 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 20.7 p -61.27 -44.45 97.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.109 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.0 t -62.76 -47.75 82.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.452 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.21 -48.11 79.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.449 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.04 -44.15 97.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.924 0.392 . . . . 0.0 110.16 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -46.2 89.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.819 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.403 HH11 ' HA ' ' A' ' 45' ' ' ARG . 55.2 ttp180 -58.48 -46.69 86.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.141 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.5 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 98.1 mt-10 -61.74 -43.56 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.017 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.55 -43.38 94.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.197 0.522 . . . . 0.0 109.96 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.403 HD12 HG21 ' A' ' 91' ' ' ILE . 77.6 mt -61.04 -42.92 94.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.318 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.454 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 20.0 m -57.03 -46.11 82.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.433 . . . . 0.0 109.85 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.428 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 99.4 mt-10 -63.38 -42.66 98.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.537 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.2 mt -60.05 -42.78 95.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.405 HD11 HG22 ' A' ' 95' ' ' ILE . 86.3 mt -60.57 -42.79 92.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.552 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.572 ' OE1' ' NZ ' ' B' ' 30' ' ' LYS . 85.2 tt0 -63.24 -37.62 87.95 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.38 -41.45 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.901 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -60.4 -39.3 86.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.563 ' OE1' ' CE1' ' A' ' 34' ' ' PHE . 50.7 tp10 -59.56 -39.16 83.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.167 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.02 -35.38 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.189 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.97 -2.55 51.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.406 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.1 mttp 56.83 24.96 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.508 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.872 -1.061 . . . . 0.0 110.556 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.83 151.04 43.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.555 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.5 mt-10 -61.93 -70.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.484 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.7 mt -37.54 -38.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.32 -46.44 80.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 1.94 110.292 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' B' ' 3' ' ' GLU . 79.6 mm-40 -67.6 -36.98 81.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.18 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.53 -42.58 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.31 -44.29 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.873 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.7 mtp -59.19 -42.08 90.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.561 -0.533 . . . . 1.05 109.561 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.52 -41.84 97.75 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.4 -43.02 98.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.737 0.303 . . . . 0.0 110.302 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.64 -44.23 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 1.08 109.672 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.436 HD11 HG21 ' B' ' 13' ' ' ILE . 86.4 mt -63.67 -44.15 98.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 1.02 109.921 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -61.22 -46.24 91.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.808 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -61.31 -43.59 98.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.109 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.87 -44.48 96.05 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -63.79 -44.49 93.21 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.13 74.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.955 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.35 -46.68 87.94 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -55.29 -44.59 75.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.87 -42.94 97.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.664 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.07 -51.37 70.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.5 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.3 m-85 -59.4 -41.35 89.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.701 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.4 89.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.782 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.47 86.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.619 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.67 -44.84 96.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.327 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.87 -42.0 75.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.75 -41.25 95.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.857 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.59 93.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.673 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' OE1' ' A' ' 96' ' ' GLU . 68.0 mttm -61.51 -28.96 69.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.047 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -81.79 -4.77 57.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.98 17.31 59.68 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -102.43 77.62 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 0.0 110.257 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.57 ' CE1' ' OE1' ' B' ' 99' ' ' GLU . 91.9 m-85 -64.92 -34.05 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.77 77.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.012 0.434 . . . . 0.0 110.766 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.21 80.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.455 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.19 77.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.502 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.48 -43.86 98.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.556 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.03 97.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.17 -40.49 94.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.448 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 89.8 mmm -63.45 -41.55 98.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.584 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.44 -45.4 93.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.481 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.81 -41.18 97.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.293 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -61.95 -45.24 94.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.491 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.406 ' HA ' HH11 ' B' ' 88' ' ' ARG . 70.3 ttt180 -60.72 -42.8 97.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.247 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 66.2 ttp -60.63 -44.35 96.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.312 0.577 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.41 98.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.129 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.91 -39.97 91.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.745 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.22 -42.72 95.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.38 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.55 -39.38 93.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.191 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.37 78.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.462 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -62.2 -38.68 90.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.13 110.253 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.82 -44.05 97.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.398 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.23 -43.32 95.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.958 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.07 -43.52 95.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 99.6 m -56.98 -42.8 80.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 1.03 109.991 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -39.24 93.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.12 -28.11 69.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.739 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -89.71 -31.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 1.01 110.721 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' B' ' 61' ' ' GLY . 80.5 mm-40 -81.56 -7.28 59.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' B' ' 60' ' ' GLU . . . -48.09 -174.31 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -88.52 107.89 19.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.334 . . . . 0.0 110.565 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.55 144.61 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.424 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.69 163.98 49.31 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.55 116.79 12.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.763 0.316 . . . . 0.0 110.717 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.06 7.59 88.39 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -97.84 148.0 23.85 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.634 0.255 . . . . 0.0 110.521 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 66.5 mtt -76.71 152.87 35.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.643 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -77.48 -6.08 52.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 m -108.98 131.04 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.777 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.1 p -129.68 164.5 23.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.489 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.42 -41.62 94.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.626 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.47 -45.46 97.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.608 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.98 -41.67 95.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 1.03 110.962 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.2 -47.27 92.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.843 -0.617 . . . . 1.12 110.296 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.456 ' CE1' ' CD2' ' B' ' 80' ' ' HIS . 59.2 t-80 -59.92 -45.76 91.55 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.838 -0.345 . . . . 2.11 110.325 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.89 92.02 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.895 0.378 . . . . 1.01 110.41 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -62.24 -40.45 96.21 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.12 -0.491 . . . . 1.89 110.271 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.425 ' CD2' ' SD ' ' A' ' 82' ' ' MET . 40.7 tp -55.61 -46.55 77.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.336 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.456 ' CD2' ' CE1' ' B' ' 76' ' ' HIS . 74.6 m-70 -67.69 -46.4 72.39 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.763 -0.375 . . . . 0.14 110.705 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.77 -46.78 88.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.797 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' MET . . . . . 0.422 ' SD ' ' CD2' ' C' ' 79' ' ' LEU . 80.4 mtp -60.91 -44.03 97.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.227 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 21.1 p -61.16 -44.11 97.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.152 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 43.8 t -63.15 -47.33 83.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.645 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.6 -47.92 80.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.522 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.02 -44.25 97.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 110.111 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.54 88.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.9 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.406 HH11 ' HA ' ' B' ' 45' ' ' ARG . 55.1 ttp180 -58.22 -47.1 84.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.208 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.496 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.9 mt-10 -61.25 -43.43 98.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.177 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.75 -43.33 93.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.135 0.493 . . . . 0.0 110.057 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.96 -42.84 94.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.174 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.448 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 19.5 m -57.28 -46.13 83.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.072 0.463 . . . . 0.0 109.842 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.421 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.2 mt-10 -63.19 -43.02 99.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.513 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.428 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 77.0 mt -59.58 -43.05 93.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.45 -43.12 93.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.494 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' C' ' 30' ' ' LYS . 84.9 tt0 -62.78 -38.16 89.52 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.86 -41.72 99.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.769 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -60.08 -39.69 86.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.57 ' OE1' ' CE1' ' B' ' 34' ' ' PHE . 50.9 tp10 -59.34 -39.11 82.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.088 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.14 -35.32 80.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.141 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.5 -3.08 52.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.386 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.1 mttp 56.83 25.29 10.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.549 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -71.69 151.42 43.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.7 mt-10 -62.16 -70.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.343 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' C' ' 3' ' ' GLU . 96.5 mt -37.72 -38.49 0.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.407 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.45 -46.31 80.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 1.94 110.376 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' C' ' 3' ' ' GLU . 79.5 mm-40 -67.68 -37.27 82.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.342 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.89 -42.92 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.424 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.02 -44.35 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.019 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -59.34 -41.62 89.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.608 -0.515 . . . . 1.05 109.608 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -42.18 97.42 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.88 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.325 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.08 -44.55 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 1.09 109.75 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.4 HG21 HD11 ' C' ' 13' ' ' ILE . 87.0 mt -63.66 -43.95 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.969 -0.56 . . . . 1.02 110.08 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -61.44 -45.85 92.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.798 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -61.61 -43.7 98.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.139 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.87 -44.27 96.36 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.79 -43.97 94.77 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.91 75.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.765 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -59.84 -46.44 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -55.43 -44.6 76.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.71 -43.09 97.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.723 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -51.4 70.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.496 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.41 -41.6 89.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.562 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.28 88.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 -42.66 86.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.567 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.32 -45.21 95.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.392 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.52 -42.37 74.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.88 -40.66 93.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.937 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.6 94.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.783 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' B' ' 96' ' ' GLU . 68.0 mttm -61.75 -28.95 69.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.074 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -81.32 -4.95 57.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.517 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.85 17.5 59.61 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -102.3 78.17 1.72 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.725 0.298 . . . . 0.0 110.211 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.564 ' CE1' ' OE1' ' C' ' 99' ' ' GLU . 91.1 m-85 -65.58 -33.84 76.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.509 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.22 79.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.042 0.449 . . . . 0.0 110.744 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.38 80.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.36 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.19 -48.06 77.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.473 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.41 -43.71 98.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.617 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.96 97.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.776 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.5 mtt -65.06 -40.38 94.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.465 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 89.8 mmm -63.72 -41.44 98.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.66 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.45 -45.42 93.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.368 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.0 -40.89 97.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.3 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 63.4 m -61.86 -45.49 93.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.408 ' HA ' HH11 ' C' ' 88' ' ' ARG . 70.6 ttt180 -60.57 -42.91 97.59 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.32 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.69 -44.09 96.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.308 0.575 . . . . 0.0 110.527 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.02 97.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.304 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.66 -39.87 91.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.34 -42.69 96.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.269 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.49 -39.57 94.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.004 0.43 . . . . 0.0 110.004 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -44.39 77.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.421 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -61.82 -38.76 89.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.14 110.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.22 -43.59 98.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.314 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.64 -43.03 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.922 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -60.21 -43.7 95.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.233 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 99.1 m -56.96 -42.84 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 1.03 110.174 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.58 -39.1 92.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 110.506 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.95 -28.36 70.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.811 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -89.7 -31.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.977 -0.556 . . . . 1.01 110.831 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.539 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 -81.66 -7.05 59.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.505 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . 0.503 ' O ' ' O ' ' C' ' 60' ' ' GLU . . . -48.4 -174.05 0.01 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -88.74 108.01 19.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.497 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.62 144.21 51.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.32 164.37 47.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.88 116.82 12.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.771 0.32 . . . . 0.0 110.624 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.03 7.52 88.44 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -97.58 148.37 23.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.662 0.267 . . . . 0.0 110.629 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -77.1 153.06 34.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -77.69 -5.94 52.22 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.7 m -108.81 130.54 61.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.724 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 18.0 p -128.31 166.89 17.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.557 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.26 -41.34 98.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.67 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 59.3 t -64.29 -46.35 93.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 130.153 3.381 . . . . 0.0 110.627 -178.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.52 -41.72 88.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.222 -0.444 . . . . 1.03 111.004 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.11 -48.09 89.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.821 -0.627 . . . . 1.13 110.255 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.446 ' CE1' ' CD2' ' C' ' 80' ' ' HIS . 59.1 t-80 -59.74 -45.55 91.86 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.914 -0.314 . . . . 1.96 110.268 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.58 91.41 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.934 0.397 . . . . 1.01 110.412 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -62.4 -39.79 94.4 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.243 -0.435 . . . . 1.89 110.244 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . 0.422 ' CD2' ' SD ' ' B' ' 82' ' ' MET . 40.6 tp -56.26 -46.67 79.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.426 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.446 ' CD2' ' CE1' ' C' ' 76' ' ' HIS . 74.7 m-70 -67.63 -46.34 72.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.325 -0.398 . . . . 0.13 110.64 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.81 -46.57 88.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.796 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 80.1 mtp -61.15 -43.63 98.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 21.2 p -61.58 -43.94 97.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.192 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.5 t -63.31 -47.36 82.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -57.39 -48.09 79.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.504 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.14 -44.32 97.52 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.148 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.62 87.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.01 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.408 HH11 ' HA ' ' C' ' 45' ' ' ARG . 55.3 ttp180 -58.02 -47.47 82.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.248 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.8 -43.64 97.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.156 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.69 -43.67 92.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.158 0.504 . . . . 0.0 109.98 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.8 mt -60.52 -42.86 92.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.423 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.465 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 19.4 m -57.32 -45.95 83.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.024 0.44 . . . . 0.0 109.963 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.47 -42.96 98.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.521 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.421 ' CD1' ' OE1' ' B' ' 93' ' ' GLU . 75.8 mt -59.44 -43.02 93.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.4 -43.37 93.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.588 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.42 -38.19 88.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.713 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.79 -41.86 99.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.879 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -59.82 -39.75 86.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.711 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.564 ' OE1' ' CE1' ' C' ' 34' ' ' PHE . 50.6 tp10 -59.5 -39.15 82.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.094 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.97 -35.2 79.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.245 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 88.9 mt -81.88 -3.15 53.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 57.26 24.97 10.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.564 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.513 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.66 0 CA-C-O 121.908 0.861 . . . . 0.0 108.944 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.74 143.04 36.8 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.31 38.51 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.96 -1.088 . . . . 0.0 109.537 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.18 28.52 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.4 18.89 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.999 -1.063 . . . . 0.0 108.396 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.89 144.35 19.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.7 136.61 36.98 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.126 0.965 . . . . 0.0 110.116 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.97 114.33 24.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.92 -4.28 19.31 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.893 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.87 85.85 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.644 -1.91 . . . . 0.0 110.579 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.51 -47.69 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 124.812 3.674 . . . . 0.0 114.137 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -102.18 27.62 6.52 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 116.039 -2.265 . . . . 0.0 108.775 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.82 -123.11 21.44 Favored Glycine 0 N--CA 1.496 2.681 0 C-N-CA 117.638 -2.22 . . . . 0.0 109.63 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.16 80.94 1.91 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.914 -1.345 . . . . 0.0 109.485 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.428 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.3 OUTLIER -88.06 175.61 7.67 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 117.88 -1.528 . . . . 0.0 112.071 -179.353 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.536 ' OG1' ' O3 ' ' D' ' 200' ' ' PO3 . 11.4 p -22.04 -66.51 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.58 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 9.3 ttt-85 -48.52 -65.68 0.73 Allowed Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 120.139 -0.625 . . . . 0.0 112.493 -177.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.428 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.8 Cg_endo -64.78 -32.21 56.66 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 121.26 1.306 . . . . 0.0 111.513 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.8 86.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.233 -0.917 . . . . 0.0 109.518 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.82 72.58 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -63.93 -39.45 94.19 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.026 -1.47 . . . . 0.0 109.441 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.536 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.62 -45.39 93.06 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.627 1.203 . . . . 0.0 108.7 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.54 -42.37 95.6 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.32 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.609 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -63.75 -40.41 96.64 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.247 -0.908 . . . . 0.0 109.796 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.468 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.68 -39.77 80.42 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.464 -0.773 . . . . 0.0 109.597 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.99 -44.09 91.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.655 -1.278 . . . . 0.0 109.392 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.25 -16.27 43.62 Favored 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.63 86.03 Favored Glycine 0 N--CA 1.478 1.491 0 O-C-N 119.939 -1.726 . . . . 0.0 109.338 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.415 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.45 143.35 32.82 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.262 -1.728 . . . . 0.0 110.046 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.6 p -75.53 -30.07 59.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.178 -0.951 . . . . 0.0 112.394 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.73 158.6 10.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 119.855 -1.778 . . . . 0.0 112.761 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.27 35.34 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 102.782 -3.044 . . . . 0.0 102.782 171.263 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.68 60.11 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 CA-C-O 122.253 1.025 . . . . 0.0 109.289 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.411 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.96 143.18 51.02 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-O 123.089 1.423 . . . . 0.0 109.98 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.411 ' N ' HG23 ' D' ' 334' ' ' THR . 86.0 t -108.13 129.97 61.47 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.691 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 173.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.2 m -127.46 119.56 26.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.927 -1.108 . . . . 0.0 108.935 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.63 39.34 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.926 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.67 38.98 24.22 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.857 -1.152 . . . . 0.0 112.798 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 11.09 83.5 Favored Glycine 0 N--CA 1.503 3.123 0 O-C-N 119.91 -1.744 . . . . 0.0 112.5 177.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.3 54.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.76 158.52 33.1 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-O 123.781 1.753 . . . . 0.0 112.432 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.39 31.41 Favored 'General case' 0 C--N 1.279 -2.5 0 CA-C-N 112.539 -2.119 . . . . 0.0 108.621 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.634 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.61 135.92 48.79 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 173.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.91 -6.81 47.65 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.658 -1.277 . . . . 0.0 110.731 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.634 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.5 12.97 31.55 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.698 -1.251 . . . . 0.0 109.408 -177.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.9 t -133.08 104.18 6.39 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 122.232 1.015 . . . . 0.0 110.193 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.5 tp -57.26 -37.88 73.01 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.952 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -58.95 -51.3 70.64 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.566 -1.334 . . . . 0.0 113.057 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.47 70.66 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 119.542 -1.974 . . . . 0.0 109.205 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.85 -33.8 76.01 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.896 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.539 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.1 tp60 -67.57 -10.48 52.24 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.634 -0.666 . . . . 0.0 109.929 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 30.9 p -89.81 -7.65 53.87 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 118.124 -1.43 . . . . 0.0 110.931 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.8 mt -93.4 159.29 15.32 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.208 -0.932 . . . . 0.0 110.152 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.86 2.97 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 106.916 -2.474 . . . . 0.0 106.916 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.58 47.42 1.71 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.668 -1.489 . . . . 0.0 107.387 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.0 p -81.42 172.5 13.46 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.222 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.68 140.92 57.3 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.893 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.38 -3.16 79.13 Favored Glycine 0 N--CA 1.501 2.99 0 C-N-CA 120.031 -1.081 . . . . 0.0 111.351 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.43 135.88 34.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.88 -1.365 . . . . 0.0 110.593 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.47 123.75 48.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 106.355 -1.721 . . . . 0.0 106.355 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.23 160.0 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 C-N-CA 117.427 -1.709 . . . . 0.0 110.631 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.87 128.44 54.91 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.598 -1.314 . . . . 0.0 107.592 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.88 121.37 60.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.31 50.71 Favored 'General case' 0 C--N 1.285 -2.223 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 -179.548 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.5 47.2 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.67 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.77 6.4 Favored 'General case' 0 C--N 1.288 -2.07 0 C-N-CA 118.567 -1.253 . . . . 0.0 108.015 178.16 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.37 40.16 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 118.074 -2.013 . . . . 0.0 110.372 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.24 -40.7 82.41 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.418 -0.891 . . . . 0.0 112.224 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 115.897 -2.321 . . . . 0.0 108.583 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -33.58 65.77 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 -174.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.405 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.97 -45.6 26.97 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.593 -1.942 . . . . 0.0 110.925 -176.486 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.7 97.72 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.49 77.66 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 117.462 -1.695 . . . . 0.0 110.006 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.81 -42.21 88.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-O 122.185 0.993 . . . . 0.0 109.29 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.88 -47.94 76.48 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 122.037 0.922 . . . . 0.0 108.743 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.74 -38.38 76.82 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.696 -178.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.536 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.6 -28.6 58.96 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.389 -1.444 . . . . 0.0 110.9 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.58 71.27 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.39 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.8 -49.28 63.22 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.468 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.3 -45.17 84.44 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.004 -1.078 . . . . 0.0 110.52 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.36 -37.39 85.51 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.93 -1.106 . . . . 0.0 111.508 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.85 61.61 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.059 -1.025 . . . . 0.0 110.21 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.81 -32.34 46.26 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.496 -0.753 . . . . 0.0 111.369 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.48 12.32 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 124.288 1.994 . . . . 0.0 112.859 178.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.893 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.565 0 CA-C-N 111.139 -2.755 . . . . 0.0 110.184 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 200' ' ' PO3 . . . . . 0.604 ' O3 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 8' ' ' VAL . 62.7 mt . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.87 -47.13 78.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.963 0.411 . . . . 1.9399999999999999 110.285 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -67.53 -35.51 79.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.266 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.12 -43.11 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 4' ' ' LEU . 77.7 t -60.82 -44.35 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.906 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.14 -42.56 90.96 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.509 -0.552 . . . . 0.17999999999999999 109.509 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.88 97.38 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' A' ' 55' ' ' GLN . 39.0 mt -62.94 -42.69 99.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.391 . . . . 0.0 110.202 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.02 -44.27 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.20000000000000001 109.763 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.51 HD11 ' HB1' ' D' ' 320' ' ' ALA . 86.9 mt -63.54 -43.99 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.01 110.02 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -61.01 -46.43 90.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.771 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -59.93 -44.67 94.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.963 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.432 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -62.01 -41.93 99.7 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.44 -44.08 95.56 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.64 -48.85 78.32 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.853 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.89 -45.93 92.64 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -55.42 -43.77 75.64 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.22 -41.99 98.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.721 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.19 -48.92 77.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.49 -41.35 89.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.617 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.33 89.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.775 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.36 90.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.671 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.23 -45.63 93.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.369 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' NZ ' ' OE1' ' A' ' 31' ' ' GLN . 66.4 tttm -55.08 -43.17 73.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.42 -41.95 90.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.763 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.4 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.684 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.19 -30.04 70.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.149 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.528 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 27.3 mt-30 -82.98 -4.46 58.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.435 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.51 17.72 67.94 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -99.78 79.52 2.24 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.792 0.33 . . . . 0.0 110.301 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.6 -33.87 76.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.664 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.97 81.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.027 0.442 . . . . 0.0 110.763 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.1 79.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.351 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.92 81.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.578 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -61.1 -43.02 99.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.597 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.6 99.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.758 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.1 mtt -65.72 -41.96 91.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.469 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.437 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.3 mtm -64.14 -41.35 97.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.667 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.41 -45.45 93.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.491 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.86 -40.76 97.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.5 m -61.22 -45.45 94.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.517 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -61.11 -42.38 98.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.267 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.71 -43.54 97.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.197 0.522 . . . . 0.0 110.611 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.89 99.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.24 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.97 -39.86 94.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.58 -42.2 98.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.24 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.04 -40.54 91.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.215 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.39 -43.76 80.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.445 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.66 -38.16 89.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.089999999999999997 110.387 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.09 -44.18 97.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.313 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.4 -43.19 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.04 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.568 ' NE2' ' HB1' ' A' ' 77' ' ' ALA . 11.8 tp-100 -60.27 -42.94 96.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.226 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -57.08 -42.6 81.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.059999999999999998 110.062 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -62.19 -38.52 89.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.985 0.422 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.96 -30.11 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.67 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.451 ' CG1' HD22 ' A' ' 74' ' ' LEU . 84.6 mt -83.7 -32.98 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.049 -0.523 . . . . 0.050000000000000003 110.885 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.562 ' O ' HG23 ' A' ' 75' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.461 0.101 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.4 mt -57.41 -45.89 84.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.613 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.602 HG13 HG21 ' A' ' 8' ' ' VAL . 74.7 t -64.19 -47.39 90.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.913 0.387 . . . . 0.0 110.598 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' CG1' ' A' ' 59' ' ' ILE . 90.3 mt -63.81 -41.81 97.82 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 116.204 -0.453 . . . . 0.11 110.886 -178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 71' ' ' SER . 55.4 t -59.87 -47.7 90.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.766 -0.652 . . . . 0.38 110.201 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -58.99 -46.26 88.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.832 0.349 . . . . 0.0 110.355 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.568 ' HB1' ' NE2' ' A' ' 55' ' ' GLN . . . -64.42 -44.06 92.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.434 -0.348 . . . . 0.059999999999999998 110.634 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -61.99 -40.1 94.47 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.256 -0.429 . . . . 1.0900000000000001 110.2 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.649 HD21 ' SD ' ' C' ' 82' ' ' MET . 46.1 tp -56.99 -46.47 82.22 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.374 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -67.79 -46.7 71.21 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.679 -0.408 . . . . 0.080000000000000002 110.734 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.7 -46.13 91.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.839 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.55 ' SD ' HD21 ' B' ' 79' ' ' LEU . 80.1 mtp -63.43 -42.9 98.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.212 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.2 p -64.41 -48.39 75.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.09 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.45 -49.11 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.465 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 tpp -57.67 -47.78 81.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.592 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.9 -44.75 96.15 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.027 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -48.16 82.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.9 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -58.44 -45.39 88.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.12 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.1 mt-10 -61.33 -43.66 98.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.042 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.23 -42.77 96.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.156 0.503 . . . . 0.0 109.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.553 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.1 mt -60.43 -42.49 91.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.278 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.0 m -57.53 -46.02 84.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.057 0.456 . . . . 0.0 109.904 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.516 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.5 mt-10 -63.35 -43.2 98.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.594 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.32 -42.84 92.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.368 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.437 HD12 ' SD ' ' A' ' 41' ' ' MET . 89.3 mt -61.62 -42.72 95.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.482 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.508 ' HG2' ' HZ3' ' A' ' 100' ' ' LYS . 84.6 tt0 -60.96 -39.22 88.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.508 HD21 ' NE2' ' B' ' 98' ' ' HIS . 79.9 mt -62.28 -42.27 99.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.91 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -59.33 -39.59 83.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.73 -41.93 96.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.175 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.508 ' HZ3' ' HG2' ' A' ' 96' ' ' GLU . 61.0 mttp -64.58 -37.72 88.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.186 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.421 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.641 ' O ' HG23 ' B' ' 8' ' ' VAL . 61.9 mt . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.558 0.218 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.93 -46.97 79.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.931 0.396 . . . . 1.9399999999999999 110.396 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.69 -35.5 78.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.215 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.06 -43.24 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 4' ' ' LEU . 81.1 t -60.91 -44.3 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.889 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.12 -42.24 90.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.506 -0.553 . . . . 0.17999999999999999 109.506 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.32 -41.51 96.59 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' B' ' 55' ' ' GLN . 39.6 mt -63.13 -42.27 99.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.828 0.347 . . . . 0.0 110.363 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.57 -44.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 0.28999999999999998 109.657 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.24 -44.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.991 -0.55 . . . . 0.02 109.939 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.77 -46.75 89.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.772 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 12.0 t -59.36 -44.66 92.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.191 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.35 -42.09 99.72 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.15 -43.55 98.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.08 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.845 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.53 -45.66 93.0 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -55.75 -43.61 76.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.21 -42.22 99.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.652 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.573 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.23 -48.73 78.09 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.413 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.0 m-85 -59.45 -41.36 89.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.669 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.12 90.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.697 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.32 90.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.6 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.55 -45.19 95.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.319 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.523 ' NZ ' ' OE1' ' B' ' 31' ' ' GLN . 66.4 tttm -55.59 -43.0 75.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -59.75 -41.46 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.869 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.49 91.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.776 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.18 -30.15 70.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.044 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.523 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 27.3 mt-30 -82.82 -4.75 58.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.77 18.06 66.55 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -100.01 78.98 2.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.32 . . . . 0.0 110.326 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -64.49 -33.71 76.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.543 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.33 80.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.02 79.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.418 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.1 80.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.512 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -60.89 -43.32 98.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.524 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.95 99.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.737 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 60.8 mtt -65.47 -42.15 92.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.425 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.2 mtm -63.75 -41.77 97.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.63 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.26 -45.37 93.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.446 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.66 -41.2 98.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.31 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.8 m -60.8 -45.9 92.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.479 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -60.68 -42.27 96.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.358 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.77 -43.8 97.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.345 0.593 . . . . 0.0 110.671 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.95 99.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.115 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.408 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 13.9 mt -64.92 -39.62 93.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.75 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.85 -42.06 98.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.322 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.06 -40.67 91.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.209 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.12 -44.11 80.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.418 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.51 -38.17 88.88 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.089999999999999997 110.261 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.04 -43.96 98.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.32 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.63 -43.2 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.119 0.485 . . . . 0.0 110.003 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.602 ' NE2' ' HB1' ' B' ' 77' ' ' ALA . 11.7 tp-100 -60.45 -42.67 96.6 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.256 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -57.58 -42.37 83.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.059999999999999998 109.964 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -62.09 -38.91 90.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 0.0 110.531 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 58' ' ' LEU . 97.9 mt -65.45 -30.45 71.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.747 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.47 ' CG1' HD22 ' B' ' 74' ' ' LEU . 83.6 mt -83.4 -33.0 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.035 -0.529 . . . . 0.040000000000000001 110.771 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.853 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.608 ' O ' HG23 ' B' ' 75' ' ' VAL . 12.6 p . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 121.043 0.449 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.42 -45.57 93.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.569 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.587 HG13 HG21 ' B' ' 8' ' ' VAL . 71.4 t -63.38 -46.54 95.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.617 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.47 HD22 ' CG1' ' B' ' 59' ' ' ILE . 90.0 mt -64.32 -41.42 96.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.11 110.97 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 71' ' ' SER . 54.6 t -60.09 -47.33 92.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.768 -0.651 . . . . 0.38 110.249 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -59.5 -46.16 89.63 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.866 -0.334 . . . . 1.1100000000000001 110.297 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.602 ' HB1' ' NE2' ' B' ' 55' ' ' GLN . . . -64.09 -44.21 93.02 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.942 0.401 . . . . 0.059999999999999998 110.457 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.15 -40.42 95.91 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 116.141 -0.482 . . . . 1.0900000000000001 110.194 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.55 HD21 ' SD ' ' A' ' 82' ' ' MET . 44.2 tp -56.67 -46.49 81.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.389 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -68.12 -46.18 71.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.387 -0.37 . . . . 0.080000000000000002 110.688 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.23 -46.21 91.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.849 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' MET . . . . . 0.528 ' SD ' HD21 ' C' ' 79' ' ' LEU . 80.1 mtp -63.19 -43.01 99.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.254 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.3 p -64.36 -48.3 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.25 -49.01 78.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.612 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpp -57.82 -48.01 80.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.469 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.63 -44.6 96.69 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.143 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.81 84.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.933 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.408 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 73.0 ttp85 -58.37 -45.56 88.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.186 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.9 mt-10 -61.37 -43.66 98.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.17 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.09 -42.67 96.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 110.018 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.573 HD12 ' HB1' ' B' ' 22' ' ' ALA . 80.5 mt -60.64 -42.32 91.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 86.1 m -57.77 -45.62 85.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.069 0.462 . . . . 0.0 109.86 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.521 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.6 mt-10 -63.8 -42.97 97.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.519 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.516 HD13 ' OE1' ' A' ' 93' ' ' GLU . 76.0 mt -59.48 -43.12 93.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.425 HD12 ' SD ' ' B' ' 41' ' ' MET . 88.5 mt -61.34 -42.92 95.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.489 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' GLU . . . . . 0.511 ' HG2' ' HZ3' ' B' ' 100' ' ' LYS . 84.0 tt0 -60.58 -39.61 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.731 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.517 HD21 ' NE2' ' C' ' 98' ' ' HIS . 80.4 mt -62.12 -41.98 98.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.876 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.508 ' NE2' HD21 ' A' ' 97' ' ' LEU . 51.9 m170 -59.5 -39.52 84.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.759 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.92 -41.95 97.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.076 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' LYS . . . . . 0.511 ' HZ3' ' HG2' ' B' ' 96' ' ' GLU . 61.0 mttp -64.62 -37.52 87.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.387 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.662 ' O ' HG23 ' C' ' 8' ' ' VAL . 63.0 mt . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.596 0.236 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.87 -47.13 79.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 1.9399999999999999 110.361 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.4 -35.48 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.36 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.16 -42.96 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.337 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.662 HG23 ' O ' ' C' ' 4' ' ' LEU . 82.9 t -60.91 -44.27 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.032 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.7 mtp -59.26 -42.29 90.8 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.616 -0.513 . . . . 0.17999999999999999 109.616 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -41.74 97.1 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' C' ' 55' ' ' GLN . 38.6 mt -63.0 -42.88 99.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.342 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.0 -44.13 99.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.29999999999999999 109.727 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.38 -43.95 98.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.049 -0.523 . . . . 0.02 110.033 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -61.19 -46.3 91.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.791 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.93 -44.55 94.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.126 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.41 -42.2 99.72 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.94 -43.84 97.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -49.3 77.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.748 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.64 -45.46 93.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 67.1 m -55.64 -44.21 76.92 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.74 -42.19 98.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.784 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.24 -48.88 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.425 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.3 m-85 -59.52 -41.23 89.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.537 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.38 90.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.71 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.12 91.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.581 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.56 -45.13 95.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.371 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' LYS . . . . . 0.526 ' NZ ' ' OE1' ' C' ' 31' ' ' GLN . 66.4 tttm -55.68 -42.67 75.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -60.11 -40.99 91.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.92 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.86 92.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.805 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.92 -30.26 70.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.049 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.526 ' OE1' ' NZ ' ' C' ' 27' ' ' LYS . 27.3 mt-30 -82.52 -5.07 58.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.475 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.06 18.15 65.66 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.17 79.27 2.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.722 0.296 . . . . 0.0 110.318 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -64.79 -33.74 76.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.558 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.24 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.986 0.422 . . . . 0.0 110.617 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.37 -34.78 79.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.07 80.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.541 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -60.95 -43.33 98.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.601 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.26 99.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.39 -42.06 93.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.429 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.8 mtm -63.86 -41.78 97.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.638 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.36 -45.48 92.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.415 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.57 -40.85 98.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.288 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -61.18 -45.52 94.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.531 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -61.26 -41.77 97.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.319 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -61.06 -43.83 98.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.343 0.592 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.99 99.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.367 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.401 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 13.6 mt -64.97 -39.47 93.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.731 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -62.27 -41.72 98.72 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.35 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.22 -40.77 90.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.95 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.31 -43.84 80.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.421 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.592 ' CD2' ' OD1' ' D' ' 312' ' ' ASN . 84.3 t60 -62.66 -38.26 89.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.089999999999999997 110.282 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 53' ' ' LEU . 37.8 mt -61.09 -43.93 98.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.357 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.55 -43.25 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.963 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.609 ' NE2' ' HB1' ' C' ' 77' ' ' ALA . 11.7 tp-100 -60.26 -43.05 96.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.27 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.845 HG21 HG22 ' D' ' 356' ' ' THR . 18.6 m -57.2 -42.46 81.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.059999999999999998 110.147 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -62.21 -38.4 89.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.916 0.388 . . . . 0.0 110.513 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.407 HD22 HD22 ' C' ' 4' ' ' LEU . 97.9 mt -65.79 -30.35 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.77 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.472 ' CG1' HD22 ' C' ' 74' ' ' LEU . 82.8 mt -83.5 -32.94 9.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.942 -0.572 . . . . 0.059999999999999998 110.88 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.5 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.1 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.428 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 CA--C 1.518 -0.257 0 CA-C-O 120.697 0.284 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.583 HG13 HG21 ' C' ' 8' ' ' VAL . 65.0 t -64.81 -47.21 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 130.213 3.405 . . . . 0.0 110.606 -178.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.472 HD22 ' CG1' ' C' ' 59' ' ' ILE . 94.1 mt -66.07 -41.42 90.77 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.075 0.464 . . . . 0.11 111.017 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.16 -48.05 89.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.78 -0.645 . . . . 0.40000000000000002 110.231 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -58.91 -46.69 87.3 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.867 -0.333 . . . . 1.02 110.318 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.609 ' HB1' ' NE2' ' C' ' 55' ' ' GLN . . . -64.03 -43.85 94.32 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.059999999999999998 110.427 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.24 -40.31 95.72 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.308 -0.405 . . . . 1.0900000000000001 110.235 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.528 HD21 ' SD ' ' B' ' 82' ' ' MET . 45.9 tp -57.1 -46.12 82.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.487 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -68.28 -46.27 70.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.3 -0.409 . . . . 0.080000000000000002 110.662 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.09 -46.13 91.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.884 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 82' ' ' MET . . . . . 0.649 ' SD ' HD21 ' A' ' 79' ' ' LEU . 81.3 mtp -63.43 -42.87 98.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.307 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.509 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -64.35 -48.39 75.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.125 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.2 -49.22 78.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.558 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpp -57.52 -47.94 80.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.709 0.29 . . . . 0.0 110.557 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.7 -44.8 96.25 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.187 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.87 83.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.401 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 73.0 ttp85 -58.5 -45.65 88.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.198 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.96 -43.7 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.194 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.24 -43.03 96.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.134 0.492 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.563 HD12 ' HB1' ' C' ' 22' ' ' ALA . 79.2 mt -60.24 -42.14 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.387 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 88.5 m -57.96 -45.48 86.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.068 0.461 . . . . 0.0 109.972 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.93 -42.82 97.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.504 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.521 HD13 ' OE1' ' B' ' 93' ' ' GLU . 77.0 mt -59.48 -43.01 93.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.429 HD12 ' SD ' ' C' ' 41' ' ' MET . 88.7 mt -61.48 -42.79 95.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.636 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 96' ' ' GLU . . . . . 0.449 ' HG2' ' HZ3' ' C' ' 100' ' ' LYS . 84.2 tt0 -60.49 -39.9 89.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.83 -42.4 98.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.832 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.517 ' NE2' HD21 ' B' ' 97' ' ' LEU . 52.6 m170 -59.23 -39.7 83.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' C' ' 103' ' ' ALA . 83.4 tt0 -60.66 -42.17 96.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.094 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 100' ' ' LYS . . . . . 0.449 ' HZ3' ' HG2' ' C' ' 96' ' ' GLU . 61.0 mttp -64.4 -37.52 87.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.147 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -64.91 -41.58 95.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.35 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.31 -6.59 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 103' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 121.877 0.846 . . . . 0.0 108.95 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.72 143.06 36.84 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.06 156.31 38.5 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.984 -1.072 . . . . 0.0 109.554 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.16 149.11 28.41 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.39 18.85 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.976 -1.077 . . . . 0.0 108.41 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.84 144.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.69 136.62 36.96 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 122.142 0.973 . . . . 0.0 110.142 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -85.0 114.29 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.84 -4.29 19.42 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.62 141.77 85.48 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.629 -1.919 . . . . 0.0 110.609 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.46 -47.64 12.85 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.769 3.646 . . . . 0.0 114.156 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.592 ' OD1' ' CD2' ' C' ' 52' ' ' HIS . 99.9 m-20 -102.1 27.47 6.6 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 116.131 -2.228 . . . . 0.0 108.842 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.56 -130.03 31.18 Favored Glycine 0 N--CA 1.497 2.708 0 C-N-CA 117.734 -2.174 . . . . 0.0 109.571 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.68 77.42 1.59 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.003 -1.292 . . . . 0.0 109.51 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -84.06 175.04 9.79 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 117.867 -1.533 . . . . 0.0 112.153 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 65.5 p -22.98 -69.99 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 117.257 2.318 . . . . 0.0 117.257 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.432 ' HE ' ' HA3' ' A' ' 16' ' ' GLY . 33.5 ttt-85 -44.8 -65.47 0.62 Allowed Pre-proline 0 N--CA 1.494 1.727 0 C-N-CA 120.141 -0.624 . . . . 0.0 112.553 -177.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.49 -32.21 59.87 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 C-N-CA 121.865 1.71 . . . . 0.0 111.473 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.473 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.97 -38.88 86.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.153 -0.967 . . . . 0.0 109.485 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.51 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.9 -39.73 72.59 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.9 -39.39 94.08 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.975 -1.49 . . . . 0.0 109.551 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.36 93.17 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.573 1.178 . . . . 0.0 108.686 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.3 t -62.69 -42.17 95.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.654 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.447 ' HZ1' HD12 ' A' ' 13' ' ' ILE . 92.1 mttt -63.96 -40.24 95.97 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.282 -0.886 . . . . 0.0 109.762 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.71 -39.67 80.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.448 -0.782 . . . . 0.0 109.62 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.96 92.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.571 -1.331 . . . . 0.0 109.395 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.29 -16.31 44.3 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 121.281 -0.887 . . . . 0.0 113.303 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.54 86.09 Favored Glycine 0 N--CA 1.477 1.431 0 O-C-N 119.913 -1.742 . . . . 0.0 109.337 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.49 143.38 32.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.24 -1.741 . . . . 0.0 110.018 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.57 -30.06 59.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.243 -0.91 . . . . 0.0 112.362 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.8 158.52 10.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 119.789 -1.82 . . . . 0.0 112.801 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.59 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.27 35.35 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 102.838 -3.023 . . . . 0.0 102.838 171.306 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.68 136.62 60.28 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 CA-C-O 122.208 1.004 . . . . 0.0 109.29 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.99 143.14 51.05 Favored 'General case' 0 C--N 1.285 -2.221 0 CA-C-O 123.154 1.454 . . . . 0.0 110.018 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.9 t -108.11 129.89 61.57 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.692 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.34 119.57 26.55 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.845 -1.16 . . . . 0.0 108.961 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.6 122.61 39.26 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.909 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.82 38.9 24.47 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.931 -1.106 . . . . 0.0 112.712 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 10.96 83.64 Favored Glycine 0 N--CA 1.502 3.041 0 O-C-N 119.934 -1.728 . . . . 0.0 112.577 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.31 54.53 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.79 158.53 33.13 Favored 'General case' 0 C--N 1.275 -2.645 0 CA-C-O 123.776 1.75 . . . . 0.0 112.444 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.75 151.38 31.31 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-N 112.396 -2.184 . . . . 0.0 108.572 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.61 135.99 48.85 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.76 47.53 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.674 -1.266 . . . . 0.0 110.763 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.54 12.93 31.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.717 -1.239 . . . . 0.0 109.295 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.3 t -133.01 104.17 6.41 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.141 0.972 . . . . 0.0 110.179 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.27 -37.94 73.13 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.9 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -58.89 -51.35 70.4 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.539 -1.351 . . . . 0.0 113.094 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.43 70.52 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 119.537 -1.977 . . . . 0.0 109.221 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.75 -33.75 75.8 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.004 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.5 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.62 -10.42 51.98 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.649 -0.657 . . . . 0.0 109.947 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.5 p -89.91 -7.63 53.71 Favored 'General case' 0 N--CA 1.502 2.139 0 C-N-CA 118.086 -1.446 . . . . 0.0 110.901 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.0 mt -93.36 159.26 15.33 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.21 -0.931 . . . . 0.0 110.153 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.65 104.81 2.96 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 106.981 -2.448 . . . . 0.0 106.981 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.5 mt -119.62 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.142 0 O-C-N 120.664 -1.492 . . . . 0.0 107.381 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.845 HG22 HG21 ' C' ' 56' ' ' THR . 5.2 p -81.41 172.61 13.33 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.228 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -60.72 140.92 57.35 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.401 -0.92 . . . . 0.0 109.83 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.2 79.25 Favored Glycine 0 N--CA 1.501 2.987 0 C-N-CA 120.047 -1.073 . . . . 0.0 111.361 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.35 135.85 34.13 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.891 -1.358 . . . . 0.0 110.748 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.6 t -96.45 123.74 48.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.2 m -112.22 160.1 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.298 0 C-N-CA 117.373 -1.731 . . . . 0.0 110.619 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.6 m -108.89 128.37 54.86 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 120.503 -1.373 . . . . 0.0 107.598 175.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.84 121.36 60.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.21 50.7 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.41 47.17 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 118.481 -1.288 . . . . 0.0 109.743 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.83 6.43 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 118.595 -1.242 . . . . 0.0 108.019 178.211 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.32 40.15 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 117.918 -2.086 . . . . 0.0 110.295 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.67 82.84 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 114.363 -0.918 . . . . 0.0 112.161 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.04 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 118.934 -2.353 . . . . 0.0 108.588 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.32 -33.51 65.65 Favored 'General case' 0 N--CA 1.522 3.167 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.454 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.97 -45.63 26.83 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 119.547 -1.971 . . . . 0.0 110.914 -176.515 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.781 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.74 97.86 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.58 77.36 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 117.55 -1.66 . . . . 0.0 110.085 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.91 -42.12 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 CA-C-O 122.182 0.992 . . . . 0.0 109.262 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.9 -47.95 76.51 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.016 0.912 . . . . 0.0 108.707 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.781 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.78 -38.29 76.64 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.705 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' D' ' 377' ' ' LEU . 79.9 mt -75.65 -28.57 58.81 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.37 -1.456 . . . . 0.0 110.837 -174.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.52 71.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.479 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.15 63.49 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.31 -45.15 84.5 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 118.946 -1.101 . . . . 0.0 110.553 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.41 -37.37 85.56 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.94 -1.1 . . . . 0.0 111.526 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.87 -31.89 61.73 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.136 -0.977 . . . . 0.0 110.216 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.82 -32.32 46.2 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.478 -0.763 . . . . 0.0 111.372 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.04 125.44 12.14 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 124.293 1.997 . . . . 0.0 112.916 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 11.3 pt-20 . . . . . 0 C--N 1.277 -2.58 0 CA-C-N 111.167 -2.742 . . . . 0.0 110.138 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.688 ' O ' HG23 ' A' ' 8' ' ' VAL . 62.0 mt . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.37 -44.53 87.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.872 0.368 . . . . 1.9399999999999999 110.216 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -67.2 -36.24 81.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.193 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.514 HG11 HD11 ' A' ' 58' ' ' LEU . 85.8 t -64.01 -42.24 95.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 4' ' ' LEU . 94.1 t -60.27 -44.81 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.932 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.405 ' CE ' HD22 ' D' ' 347' ' ' LEU . 90.6 mtp -59.44 -41.75 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.5 -0.555 . . . . 0.17999999999999999 109.5 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.43 -41.92 97.83 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.8 -42.91 99.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.227 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.32 -44.05 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.20000000000000001 109.721 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.514 HD11 ' HB1' ' D' ' 320' ' ' ALA . 88.8 mt -63.51 -44.56 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.01 109.984 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.509 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.9 t-20 -60.97 -46.11 92.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.776 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -60.54 -43.45 97.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.941 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.42 -43.27 98.49 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -62.2 -44.47 96.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.05 81.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.877 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.522 ' NH2' ' OG1' ' A' ' 83' ' ' THR . 42.9 ttm180 -61.23 -46.11 91.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -56.62 -43.18 79.94 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.27 -41.83 98.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.708 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.27 -48.32 79.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -60.43 -41.01 93.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.572 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.5 95.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.815 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.33 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.714 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.44 -45.39 94.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.508 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.15 -42.68 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.31 -41.22 93.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.772 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.35 95.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.745 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.24 -29.91 70.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.119 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -80.07 -4.16 51.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.46 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.4 13.76 72.76 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.33 79.76 2.57 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.766 0.317 . . . . 0.0 110.3 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -64.96 -33.69 76.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.624 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.42 78.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.086 0.469 . . . . 0.0 110.753 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.38 80.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.91 88.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.86 -40.53 97.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.616 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.6 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.742 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.6 mmm -64.63 -40.41 95.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.455 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 4.2 mmt -62.57 -41.64 99.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.608 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.96 -42.74 99.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 0.0 110.584 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -62.7 -39.8 95.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.213 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.42 ' HB3' ' HE ' ' A' ' 88' ' ' ARG . 39.7 t -61.95 -45.22 94.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.516 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.406 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 60.7 ttt85 -60.66 -42.25 96.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.349 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.7 mtt -61.96 -43.13 99.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 110.572 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.95 96.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.192 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.19 -40.31 94.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.657 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.9 -42.16 97.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.3 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.37 -40.45 93.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.204 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.509 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.44 -44.32 83.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.469 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -62.65 -37.84 87.97 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.03 -0.532 . . . . 0.089999999999999997 110.412 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.8 mt -61.22 -44.36 97.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.338 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.99 -43.75 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.055 0.455 . . . . 0.0 110.027 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.477 ' NE2' ' CB ' ' A' ' 77' ' ' ALA . 5.6 tp-100 -60.69 -42.81 97.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -55.99 -43.78 77.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.059999999999999998 110.027 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.41 -39.95 89.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 110.563 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.514 HD11 HG11 ' A' ' 7' ' ' VAL . 96.2 mt -67.96 -38.13 82.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.702 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -67.93 -39.79 82.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.048 -0.523 . . . . 0.050000000000000003 110.882 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.474 -179.112 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.2 p . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.66 -44.68 81.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.578 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.459 ' CG1' HG21 ' A' ' 8' ' ' VAL . 52.9 t -62.28 -45.71 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.0 110.537 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.54 -39.69 91.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.283 -0.417 . . . . 0.11 110.93 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.4 t -59.46 -47.35 91.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.752 -0.658 . . . . 0.38 110.227 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -58.18 -45.6 87.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.759 0.314 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.477 ' CB ' ' NE2' ' A' ' 55' ' ' GLN . . . -63.32 -40.83 98.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.552 -0.294 . . . . 0.059999999999999998 110.586 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -62.32 -40.46 96.4 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.238 -0.437 . . . . 1.0900000000000001 110.209 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 83' ' ' THR . 39.3 tp -57.43 -46.47 83.53 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.375 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -67.78 -47.47 69.09 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.737 -0.385 . . . . 0.080000000000000002 110.736 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -60.95 -45.79 93.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.849 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.28 -43.29 99.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.193 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.522 ' OG1' ' NH2' ' A' ' 19' ' ' ARG . 22.5 p -63.74 -46.15 86.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.092 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.8 m -62.12 -50.1 73.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.413 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.2 ttp -57.45 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.562 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.01 -43.89 97.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.16 82.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.825 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.42 ' HE ' ' HB3' ' A' ' 44' ' ' SER . 67.8 ttt-85 -58.88 -45.82 89.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.068 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.478 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -60.59 -44.2 96.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.096 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.44 -42.6 95.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.182 0.515 . . . . 0.0 109.863 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.573 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.9 mt -60.89 -42.36 92.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.326 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.455 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 81.8 m -58.18 -45.91 86.7 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.513 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.8 mt-10 -63.2 -43.3 98.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.57 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.557 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 74.7 mt -59.82 -43.02 94.73 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.97 -43.08 95.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.498 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -62.1 -39.07 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 97' ' ' LEU . 35.9 mt -62.81 -41.76 99.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.9 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.557 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -60.08 -39.18 85.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.048 0.452 . . . . 0.0 109.811 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.78 -40.33 94.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.178 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.98 -38.32 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.351 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.689 ' O ' HG23 ' B' ' 8' ' ' VAL . 61.7 mt . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.556 0.217 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.36 -44.71 86.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.986 0.422 . . . . 1.9399999999999999 110.345 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -66.71 -36.15 81.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.162 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.494 HG11 HD11 ' B' ' 58' ' ' LEU . 87.4 t -64.47 -42.12 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.338 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 4' ' ' LEU . 93.3 t -60.47 -44.54 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.898 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.6 -41.79 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.512 -0.551 . . . . 0.17999999999999999 109.512 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.16 97.58 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 11' ' ' LEU . 35.8 mt -62.54 -42.71 99.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.857 0.36 . . . . 0.0 110.409 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.65 -43.92 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.28999999999999998 109.719 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.56 -44.64 98.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.946 -0.57 . . . . 0.02 109.997 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.509 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.4 t-20 -60.81 -45.99 92.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.849 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -60.82 -43.13 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.196 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.86 -42.65 98.35 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -62.79 -44.35 96.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.86 82.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.944 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OG1' ' B' ' 83' ' ' THR . 43.0 ttm180 -61.02 -46.36 91.07 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -56.33 -43.59 79.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.11 -41.89 98.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.719 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.567 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.17 -48.63 78.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.478 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 23.4 m-85 -60.19 -40.88 91.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.677 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.72 95.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.743 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.5 90.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.617 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.39 -45.55 93.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.322 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.19 -42.44 73.24 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.74 -40.99 94.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.848 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.35 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.761 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.22 -30.04 70.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.094 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -79.93 -4.33 51.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.453 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.61 13.77 72.13 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.14 79.74 2.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.835 0.35 . . . . 0.0 110.304 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -65.09 -33.61 76.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.708 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.95 76.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.004 0.43 . . . . 0.0 110.755 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.37 80.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.434 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.23 86.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.527 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.61 -40.89 98.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.572 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.51 96.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.702 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 94.7 mmm -64.88 -40.54 95.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.471 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 4.0 mmt -62.51 -41.79 99.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.562 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -62.6 -42.91 99.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.41 -39.95 94.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.279 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.417 ' HB3' ' HE ' ' B' ' 88' ' ' ARG . 38.9 t -62.04 -45.23 94.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.422 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.55 -42.13 95.94 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.318 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -61.93 -43.49 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.301 0.572 . . . . 0.0 110.681 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.86 97.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.104 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 48' ' ' LEU . 92.6 mt -65.52 -40.05 92.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.75 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -61.19 -41.82 97.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.379 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.76 -40.2 91.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.084 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.509 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.69 -44.28 82.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.435 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.79 -37.73 87.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.089999999999999997 110.308 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.7 mt -61.34 -44.42 97.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.365 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.92 -44.08 96.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.128 0.489 . . . . 0.0 110.044 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.492 ' NE2' ' HB3' ' B' ' 77' ' ' ALA . 5.6 tp-100 -60.35 -42.74 96.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.257 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.11 -43.69 78.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.059999999999999998 109.966 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.6 -39.72 89.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.958 0.409 . . . . 0.0 110.561 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.494 HD11 HG11 ' B' ' 7' ' ' VAL . 96.1 mt -68.18 -37.95 81.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.703 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.96 -39.86 82.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.040000000000000001 110.839 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 -179.229 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 121.057 0.456 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.29 -44.28 92.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.499 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.455 ' CG1' HG21 ' B' ' 8' ' ' VAL . 53.5 t -61.79 -45.01 99.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.92 -39.29 91.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.067 0.46 . . . . 0.11 110.919 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.52 -47.13 91.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.825 -0.625 . . . . 0.38 110.248 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.426 ' NE2' ' NE2' ' B' ' 80' ' ' HIS . 60.8 t60 -58.25 -46.14 86.51 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.893 -0.323 . . . . 1.1100000000000001 110.302 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.492 ' HB3' ' NE2' ' B' ' 55' ' ' GLN . . . -62.96 -40.9 99.09 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.818 0.342 . . . . 0.059999999999999998 110.361 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -62.25 -40.45 96.23 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.158 -0.473 . . . . 1.0900000000000001 110.259 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 83' ' ' THR . 38.9 tp -57.71 -46.17 84.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.376 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.426 ' NE2' ' NE2' ' B' ' 76' ' ' HIS . 87.4 m-70 -67.96 -47.06 69.66 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.756 -0.378 . . . . 0.080000000000000002 110.746 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.32 -45.69 93.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.876 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.31 -43.12 99.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.255 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.542 HG23 ' O ' ' B' ' 79' ' ' LEU . 23.6 p -63.99 -45.88 87.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.185 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -62.19 -50.16 72.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.3 -48.15 79.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.429 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.01 -43.76 98.16 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.109 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.14 82.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.894 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.417 ' HE ' ' HB3' ' B' ' 44' ' ' SER . 68.4 ttt-85 -58.81 -46.07 88.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.243 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.498 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.1 mt-10 -60.26 -44.43 95.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.056 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.32 -42.42 96.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 110.06 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.567 HD12 ' HB1' ' B' ' 22' ' ' ALA . 74.7 mt -60.97 -42.62 93.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.194 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.471 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 72.6 m -58.04 -45.94 86.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.077 0.465 . . . . 0.0 109.857 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.507 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -62.97 -43.42 98.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.506 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.1 mt -59.68 -42.91 93.99 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.3 mt -61.24 -43.09 95.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.55 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.74 -39.65 92.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.731 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.8 mt -62.2 -42.23 99.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.864 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -59.65 -39.49 84.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.759 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.66 -40.39 94.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.143 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.9 -38.56 91.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.173 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.9 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.695 ' O ' HG23 ' C' ' 8' ' ' VAL . 60.9 mt . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.597 0.237 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.11 -44.8 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.813 0.339 . . . . 1.9399999999999999 110.353 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -66.69 -36.21 81.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.28 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.515 HG11 HD11 ' C' ' 58' ' ' LEU . 88.5 t -64.14 -42.8 96.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.311 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.695 HG23 ' O ' ' C' ' 4' ' ' LEU . 93.5 t -59.81 -44.65 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.049 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.66 -41.8 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.545 -0.539 . . . . 0.17999999999999999 109.545 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.08 97.96 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' C' ' 11' ' ' LEU . 35.6 mt -62.65 -42.73 99.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.884 0.373 . . . . 0.0 110.412 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.49 -43.95 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.29999999999999999 109.715 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.4 -44.74 99.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.013 -0.539 . . . . 0.02 110.041 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.514 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.3 t-20 -60.73 -46.01 92.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.807 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -60.7 -43.55 97.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.155 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.51 -42.91 98.8 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -62.38 -44.6 96.08 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.51 80.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.798 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OG1' ' C' ' 83' ' ' THR . 42.9 ttm180 -60.72 -46.53 90.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -56.41 -43.33 79.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -62.12 -41.79 98.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.671 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.588 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.12 -49.03 77.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.498 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -59.86 -41.42 91.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.536 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.63 94.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.655 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.12 91.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.551 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.83 -45.11 95.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.418 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.55 -42.4 74.58 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.8 -41.04 94.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.935 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.23 94.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.795 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.55 -29.63 70.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.052 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -80.23 -4.34 52.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.43 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.89 13.45 72.08 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -97.84 79.93 2.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.737 0.303 . . . . 0.0 110.246 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.24 -34.03 77.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.521 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.68 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.075 0.464 . . . . 0.0 110.676 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.3 80.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.404 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.81 88.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.477 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.95 -41.13 99.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.562 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.56 96.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.738 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 94.9 mmm -64.96 -40.58 95.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.449 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 4.1 mmt -62.63 -41.47 99.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.607 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.89 -42.94 99.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.912 0.387 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.44 -39.7 94.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.266 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.416 ' HB3' ' HE ' ' C' ' 88' ' ' ARG . 38.5 t -62.29 -45.23 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.57 -42.08 95.91 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.417 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 60.3 mtt -61.96 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.335 0.588 . . . . 0.0 110.504 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.74 97.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.311 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.3 mt -65.82 -40.23 91.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.675 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.98 -42.02 97.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.347 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.18 -40.86 94.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.029 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.514 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.43 -44.18 83.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.451 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.558 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 85.5 t60 -62.76 -37.67 87.56 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.089999999999999997 110.285 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.55 -44.36 97.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.373 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.82 -43.69 96.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.082 0.468 . . . . 0.0 110.077 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.49 ' NE2' ' CB ' ' C' ' 77' ' ' ALA . 5.6 tp-100 -60.75 -42.86 98.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.25 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.805 HG21 HG22 ' D' ' 356' ' ' THR . 19.4 m -56.04 -43.54 77.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.059999999999999998 110.159 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.59 -39.61 88.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.521 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.515 HD11 HG11 ' C' ' 7' ' ' VAL . 96.2 mt -68.09 -38.08 81.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.742 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.03 -39.75 82.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.059999999999999998 110.801 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.524 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.9 mm-40 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 tp . . . . . 0 CA--C 1.519 -0.214 0 CA-C-O 120.61 0.243 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.401 ' CG1' HG21 ' C' ' 8' ' ' VAL . 54.3 t -62.57 -45.27 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 130.134 3.374 . . . . 0.0 110.568 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.76 -39.66 94.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.08 0.467 . . . . 0.11 110.957 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.22 -47.92 88.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.752 -0.658 . . . . 0.40000000000000002 110.274 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.42 ' NE2' ' NE2' ' C' ' 80' ' ' HIS . 58.8 t60 -58.17 -45.95 86.57 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.88 -0.328 . . . . 1.02 110.324 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.49 ' CB ' ' NE2' ' C' ' 55' ' ' GLN . . . -63.14 -40.67 98.25 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.908 0.385 . . . . 0.059999999999999998 110.439 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -62.42 -40.58 96.99 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.244 -0.434 . . . . 1.0900000000000001 110.237 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.542 ' O ' HG23 ' C' ' 83' ' ' THR . 37.8 tp -57.54 -46.24 84.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.501 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.42 ' NE2' ' NE2' ' C' ' 76' ' ' HIS . 87.3 m-70 -68.07 -46.86 69.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.301 -0.409 . . . . 0.080000000000000002 110.762 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.4 -45.81 92.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.814 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.34 -42.93 99.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.424 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.542 HG23 ' O ' ' C' ' 79' ' ' LEU . 24.3 p -64.07 -45.96 86.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.28 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -62.13 -50.11 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.22 -48.18 79.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.491 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.86 -43.97 97.77 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.148 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.51 80.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.941 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.416 ' HE ' ' HB3' ' C' ' 44' ' ' SER . 67.9 ttt-85 -58.43 -46.33 86.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.234 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.95 -44.41 94.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.908 0.385 . . . . 0.0 110.194 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.43 -42.49 95.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.152 0.501 . . . . 0.0 110.003 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.588 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.0 mt -60.84 -42.71 93.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.367 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.449 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 76.0 m -57.82 -45.8 85.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.138 0.494 . . . . 0.0 110.028 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.33 -43.52 97.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.486 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 76.5 mt -59.24 -43.13 92.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.15 -43.0 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.547 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -61.72 -39.67 92.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.701 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.1 mt -62.15 -42.02 98.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.944 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.0 m80 -60.01 -39.32 85.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.734 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' C' ' 103' ' ' ALA . 84.0 tt0 -61.62 -40.37 94.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.103 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.83 -38.56 91.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.197 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.37 -41.11 96.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.312 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.25 -9.28 39.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.408 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 103' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.531 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.531 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.215 -0.726 0 CA-C-O 121.907 0.861 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.77 143.06 36.75 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.26 38.49 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.866 -1.146 . . . . 0.0 109.564 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.11 149.22 28.57 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 152.28 19.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.993 -1.067 . . . . 0.0 108.376 178.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.87 144.28 19.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.4 m -96.62 136.59 36.93 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 122.165 0.983 . . . . 0.0 110.133 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.32 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.87 -4.33 19.32 Favored 'General case' 0 C--N 1.265 -3.078 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.56 141.79 85.64 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 119.637 -1.914 . . . . 0.0 110.577 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.45 -47.68 12.78 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 124.769 3.646 . . . . 0.0 114.153 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.558 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 98.7 m-20 -102.14 27.59 6.52 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 116.059 -2.256 . . . . 0.0 108.806 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.69 -125.84 26.31 Favored Glycine 0 N--CA 1.496 2.676 0 C-N-CA 117.653 -2.213 . . . . 0.0 109.604 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.748 HD11 HD23 ' D' ' 384' ' ' LEU . 3.8 tp -128.21 75.85 1.65 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.938 -1.33 . . . . 0.0 109.458 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -80.79 174.53 11.53 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 117.909 -1.517 . . . . 0.0 112.129 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 58.6 p -24.78 -67.67 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.427 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 8.4 ttt-85 -45.54 -65.41 0.66 Allowed Pre-proline 0 N--CA 1.493 1.712 0 C-N-CA 120.108 -0.637 . . . . 0.0 112.488 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.6 -32.21 58.72 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 C-N-CA 121.869 1.713 . . . . 0.0 111.465 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.491 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.87 86.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.239 -0.913 . . . . 0.0 109.486 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.514 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.97 -39.67 72.4 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -64.0 -39.37 93.97 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 117.946 -1.501 . . . . 0.0 109.507 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.59 -45.35 93.31 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.656 1.217 . . . . 0.0 108.756 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.7 t -62.67 -42.18 95.09 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.689 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.411 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 63.4 mttm -63.91 -40.29 96.14 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.21 -0.931 . . . . 0.0 109.783 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.527 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.73 -39.73 80.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.424 -0.798 . . . . 0.0 109.57 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.02 91.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.58 -1.325 . . . . 0.0 109.46 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.35 -16.11 42.89 Favored 'General case' 0 N--CA 1.512 2.64 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.0 -10.54 86.2 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 119.954 -1.716 . . . . 0.0 109.268 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.423 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.31 32.89 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.26 -1.729 . . . . 0.0 109.998 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.55 -30.13 59.62 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.285 -0.884 . . . . 0.0 112.366 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.71 158.57 10.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 119.841 -1.787 . . . . 0.0 112.8 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.97 130.29 35.4 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 102.814 -3.032 . . . . 0.0 102.814 171.243 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.75 136.61 60.3 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-O 122.208 1.004 . . . . 0.0 109.336 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.9 143.2 50.98 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 123.08 1.419 . . . . 0.0 110.02 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.6 t -108.12 129.99 61.41 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.703 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 173.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.9 m -127.52 119.63 26.45 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.835 -1.166 . . . . 0.0 108.871 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.61 122.63 39.29 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.578 -0.701 . . . . 0.0 109.891 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.74 38.9 24.21 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.945 -1.097 . . . . 0.0 112.747 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 10.91 83.6 Favored Glycine 0 N--CA 1.5 2.952 0 O-C-N 119.956 -1.715 . . . . 0.0 112.556 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.77 136.3 54.51 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.78 158.58 32.98 Favored 'General case' 0 C--N 1.276 -2.623 0 CA-C-O 123.762 1.744 . . . . 0.0 112.494 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.74 151.44 31.41 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 112.508 -2.133 . . . . 0.0 108.575 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.62 135.9 48.76 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.94 -6.78 47.55 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.715 -1.24 . . . . 0.0 110.734 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.53 13.07 31.24 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.694 -1.254 . . . . 0.0 109.425 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 94.8 p -133.11 104.09 6.34 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.183 0.992 . . . . 0.0 110.144 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.405 HD22 ' CE ' ' A' ' 9' ' ' MET . 53.8 tp -57.19 -37.89 72.85 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.007 178.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -58.91 -51.35 70.42 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.6 -1.313 . . . . 0.0 113.068 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.35 70.33 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 119.616 -1.928 . . . . 0.0 109.224 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.75 75.84 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.945 -1.102 . . . . 0.0 109.924 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.524 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.68 -10.41 52.1 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.616 -0.677 . . . . 0.0 109.928 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.4 p -89.83 -7.67 53.8 Favored 'General case' 0 N--CA 1.503 2.215 0 C-N-CA 118.084 -1.446 . . . . 0.0 110.922 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.41 159.23 15.34 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.166 -0.958 . . . . 0.0 110.134 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.65 104.85 2.96 Favored Glycine 0 N--CA 1.485 1.928 0 N-CA-C 106.956 -2.457 . . . . 0.0 106.956 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 355' ' ' LEU . . . . . 0.439 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.9 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.308 -1.212 0 O-C-N 120.724 -1.456 . . . . 0.0 107.398 -178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.805 HG22 HG21 ' C' ' 56' ' ' THR . 2.2 p -81.41 172.54 13.42 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.284 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.72 140.92 57.35 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.321 -0.952 . . . . 0.0 109.862 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.16 78.99 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 120.015 -1.088 . . . . 0.0 111.35 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.39 135.91 34.08 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.873 -1.369 . . . . 0.0 110.658 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.53 123.7 48.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.23 160.08 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 C-N-CA 117.408 -1.717 . . . . 0.0 110.604 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.1 m -108.86 128.4 54.88 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.504 -1.373 . . . . 0.0 107.611 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.93 121.4 60.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.62 147.23 50.71 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -179.543 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.36 47.23 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 118.535 -1.266 . . . . 0.0 109.803 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.8 6.43 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 118.517 -1.273 . . . . 0.0 108.008 178.18 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.32 40.15 Favored Glycine 0 C--N 1.296 -1.671 0 C-N-CA 118.035 -2.031 . . . . 0.0 110.379 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.57 82.6 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.385 -0.908 . . . . 0.0 112.195 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 115.822 -2.351 . . . . 0.0 108.556 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.43 -33.51 65.91 Favored 'General case' 0 N--CA 1.521 3.085 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.84 -45.66 27.62 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 119.537 -1.977 . . . . 0.0 110.98 -176.563 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.779 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.56 -40.66 97.56 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 178.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.54 77.46 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 117.528 -1.669 . . . . 0.0 110.067 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.2 t -66.77 -42.3 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 CA-C-O 122.221 1.01 . . . . 0.0 109.264 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.82 -47.94 76.3 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.079 0.942 . . . . 0.0 108.78 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.779 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.8 -38.28 76.59 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.731 -178.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.3 mt -75.68 -28.54 58.72 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.373 -1.454 . . . . 0.0 110.9 -174.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.26 62.9 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.527 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.23 -45.28 84.03 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.076 -1.05 . . . . 0.0 110.501 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.28 -37.43 85.48 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.844 -1.16 . . . . 0.0 111.568 -177.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.82 61.61 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.124 -0.985 . . . . 0.0 110.273 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.83 -32.31 46.14 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.475 -0.765 . . . . 0.0 111.323 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.748 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.11 125.5 12.38 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 124.383 2.039 . . . . 0.0 112.872 178.666 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.3 mm-40 . . . . . 0 C--N 1.278 -2.513 0 CA-C-N 111.061 -2.79 . . . . 0.0 110.127 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 8' ' ' VAL . 90.3 mt . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.77 -44.87 88.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.958 0.409 . . . . 1.9399999999999999 110.306 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.19 -34.99 78.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.262 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.09 -42.15 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.375 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 4' ' ' LEU . 99.0 t -61.05 -44.22 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.974 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.412 ' CE ' HD22 ' D' ' 347' ' ' LEU . 88.5 mtp -58.42 -41.25 84.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.491 -0.559 . . . . 0.17999999999999999 109.491 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -40.99 98.57 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.458 HD21 ' HB ' ' A' ' 54' ' ' VAL . 32.3 mt -63.35 -42.93 98.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.22 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.13 -44.48 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.20000000000000001 109.683 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.508 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.3 mt -63.6 -44.32 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.047 -0.524 . . . . 0.01 109.972 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.46 -46.32 89.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.842 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -60.73 -44.93 96.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.957 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.52 -43.02 99.62 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.491 ' O ' ' OG ' ' A' ' 20' ' ' SER . 27.4 mm100 -63.49 -43.77 96.3 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.487 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.24 -49.32 78.3 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.829 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.45 -47.18 87.22 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.1 p -55.6 -44.1 76.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.13 -41.77 98.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.664 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.39 -49.95 74.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.403 0.621 . . . . 0.0 109.341 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.05 -40.74 90.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.557 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.33 94.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.46 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.676 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HB2' HG23 ' A' ' 91' ' ' ILE . 53.4 tp -61.72 -45.02 95.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.439 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.86 -42.42 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.67 -41.55 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.807 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.12 96.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.681 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.0 -28.76 69.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.186 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -80.29 -4.16 52.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.46 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.23 14.54 68.71 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.44 78.96 2.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.303 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -64.74 -34.55 78.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.67 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.41 74.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.491 . . . . 0.0 110.786 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.13 80.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.98 81.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.54 -42.19 98.46 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.62 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.56 99.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.789 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.3 mmm -65.77 -40.17 91.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.573 ' HE1' HG23 ' A' ' 92' ' ' THR . 91.0 mtp -63.43 -41.31 98.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.59 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.69 -44.56 96.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.981 0.42 . . . . 0.0 110.611 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.05 -41.66 99.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.222 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 41' ' ' MET . 77.9 p -60.92 -46.2 91.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.56 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.551 ' NH2' HH12 ' A' ' 88' ' ' ARG . 62.9 ttm-85 -60.14 -42.9 95.83 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.345 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 62.0 mtt -61.68 -43.01 99.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.269 0.557 . . . . 0.0 110.605 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.83 92.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.2 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' A' ' 18' ' ' ALA . 96.4 mt -65.32 -40.45 93.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.665 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.92 -42.08 97.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.245 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.05 -40.76 91.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.18 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.79 78.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.484 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -60.95 -38.85 87.3 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.089999999999999997 110.322 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.5 mt -59.98 -44.61 94.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.458 ' HB ' HD21 ' A' ' 11' ' ' LEU . 78.7 t -65.67 -42.77 93.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.069 0.461 . . . . 0.0 109.994 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.456 ' OE1' HD13 ' A' ' 11' ' ' LEU . 47.4 tp60 -59.95 -45.22 93.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.251 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -54.88 -43.97 73.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.059999999999999998 110.018 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -60.32 -39.63 87.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.497 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.82 -38.76 89.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.603 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.7 mt -72.53 -36.86 55.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.097 -0.501 . . . . 0.050000000000000003 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 75' ' ' VAL . 5.1 p . . . . . 0 C--O 1.226 -0.151 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.64 -45.29 85.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.603 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.565 HG13 HG21 ' A' ' 8' ' ' VAL . 74.9 t -64.06 -47.66 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.906 0.384 . . . . 0.0 110.588 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.51 -41.3 98.52 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.974 0.416 . . . . 0.11 110.874 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 71' ' ' SER . 54.6 t -59.81 -48.18 88.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.761 -0.654 . . . . 0.38 110.19 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -59.26 -45.82 90.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.835 0.35 . . . . 0.0 110.354 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.63 95.99 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.524 -0.307 . . . . 0.059999999999999998 110.639 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -62.64 -40.58 97.47 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.202 -0.454 . . . . 1.0900000000000001 110.191 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 83' ' ' THR . 47.6 tp -56.82 -45.93 82.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.434 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -67.03 -46.25 75.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.34 -0.391 . . . . 0.080000000000000002 110.776 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.9 -45.83 92.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.766 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.16 -43.55 98.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.15 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.8 p -63.46 -46.67 85.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.058 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.7 t -62.39 -48.81 78.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.445 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.57 -48.82 78.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.54 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.17 -44.47 97.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.058 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.24 80.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.853 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.551 HH12 ' NH2' ' A' ' 45' ' ' ARG . 76.5 ttt-85 -59.09 -45.61 90.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.173 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.4 -43.97 96.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.086 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.94 -42.21 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.17 0.509 . . . . 0.0 109.931 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.664 HD12 ' HB1' ' A' ' 22' ' ' ALA . 75.6 mt -60.14 -42.64 90.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.573 HG23 ' HE1' ' A' ' 41' ' ' MET . 67.8 m -56.94 -45.83 82.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.501 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.5 mt-10 -63.36 -43.25 98.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.578 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.541 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.6 mt -59.93 -43.16 95.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.59 -42.76 95.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.51 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -61.45 -39.79 92.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.087 0.47 . . . . 0.0 109.769 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 97' ' ' LEU . 38.0 mt -62.26 -42.17 99.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.879 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.541 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.4 m80 -59.7 -39.58 85.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.25 -39.36 92.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.152 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.93 -37.96 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.185 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.463 179.84 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.57 ' O ' HG23 ' B' ' 8' ' ' VAL . 90.4 mt . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.575 0.226 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 1.9399999999999999 110.362 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.8 -35.38 79.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.218 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.76 -42.4 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.358 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 4' ' ' LEU . 99.4 t -60.87 -44.28 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.881 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.42 -41.32 84.75 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.588 -0.523 . . . . 0.17999999999999999 109.588 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -41.16 98.68 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.459 HD13 ' OE1' ' B' ' 55' ' ' GLN . 32.7 mt -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.406 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.15 -44.24 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.28999999999999998 109.688 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.81 -44.51 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.902 -0.59 . . . . 0.02 109.97 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.25 -46.45 88.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.79 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -60.55 -44.92 95.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.09 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.67 -43.11 99.46 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.121 -1.191 . . . . 0.0 110.121 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' B' ' 20' ' ' SER . 91.5 mm-40 -63.14 -44.11 96.46 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.68 -49.64 76.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.885 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.29 -46.92 88.15 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.6 p -55.78 -43.89 77.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.26 -42.01 98.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.733 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.34 -50.06 74.16 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -59.79 -40.73 89.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.725 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.69 95.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.73 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.63 89.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.68 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.44 ' HB2' HG23 ' B' ' 91' ' ' ILE . 55.9 tp -61.7 -44.96 95.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.346 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -55.88 -42.44 75.94 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.65 -41.66 99.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.918 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.41 95.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.649 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.71 -29.01 69.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.013 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.25 -4.1 51.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.356 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.24 14.16 69.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.09 78.93 2.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.773 0.32 . . . . 0.0 110.337 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.76 -34.6 78.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.613 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -49.34 75.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.008 0.433 . . . . 0.0 110.756 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.3 80.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.17 -47.91 82.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.73 -42.5 99.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.586 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.28 99.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.729 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 91.4 mmm -66.21 -40.01 90.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.569 ' HE1' HG23 ' B' ' 92' ' ' THR . 91.0 mtp -63.24 -41.46 99.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.559 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.96 -44.3 97.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.499 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.32 -40.95 98.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.316 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.6 p -61.49 -46.21 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.461 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.55 ' NH2' HH12 ' B' ' 88' ' ' ARG . 62.7 ttm-85 -60.39 -42.66 96.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.257 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 62.2 mtt -61.63 -43.28 99.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.309 0.576 . . . . 0.0 110.655 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.62 92.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.21 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' B' ' 18' ' ' ALA . 95.8 mt -65.49 -40.05 92.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.749 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.15 -42.27 98.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.37 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.73 -40.88 92.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.194 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.86 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.477 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -60.86 -38.72 86.54 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.089999999999999997 110.275 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 53' ' ' LEU . 36.1 mt -60.25 -44.58 95.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.3 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.456 ' HB ' HD21 ' B' ' 11' ' ' LEU . 76.0 t -65.49 -43.04 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.038 0.446 . . . . 0.0 110.016 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.459 ' OE1' HD13 ' B' ' 11' ' ' LEU . 47.2 tp60 -59.65 -45.84 90.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.277 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -54.27 -44.19 71.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.059999999999999998 109.96 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.56 -39.79 89.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.552 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.3 mt -65.25 -38.8 91.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.685 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 77.3 mt -72.43 -37.3 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.040000000000000001 110.787 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.747 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.6 ' O ' HG23 ' B' ' 75' ' ' VAL . 10.0 p . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 121.086 0.469 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.29 -45.12 94.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.554 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.557 HG13 HG21 ' B' ' 8' ' ' VAL . 77.0 t -62.98 -47.07 94.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.561 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.02 -40.85 97.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.062 0.458 . . . . 0.11 110.963 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 71' ' ' SER . 56.0 t -59.96 -47.8 90.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.77 -0.65 . . . . 0.38 110.275 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.472 ' NE2' ' NE2' ' B' ' 80' ' ' HIS . 48.9 t60 -59.28 -46.24 89.07 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.9 -0.32 . . . . 1.1100000000000001 110.265 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.47 96.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.841 0.353 . . . . 0.059999999999999998 110.42 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.93 -40.68 98.35 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.147 -0.478 . . . . 1.0900000000000001 110.29 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 83' ' ' THR . 48.2 tp -56.83 -45.94 82.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.472 ' NE2' ' NE2' ' B' ' 76' ' ' HIS . 71.6 m-70 -67.05 -46.34 74.65 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.689 -0.404 . . . . 0.080000000000000002 110.726 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.68 -46.08 91.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.863 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.89 -43.47 98.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.293 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.476 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.7 p -63.6 -46.49 85.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.187 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 40.9 t -62.34 -48.64 78.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.637 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.71 -48.49 79.43 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.462 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.52 -44.28 97.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.146 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.25 80.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.927 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.55 HH12 ' NH2' ' B' ' 45' ' ' ARG . 76.3 ttt-85 -58.99 -45.53 90.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.276 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 98.0 mt-10 -60.54 -43.98 96.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.19 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.84 -41.92 97.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.152 0.501 . . . . 0.0 110.086 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' B' ' 22' ' ' ALA . 73.6 mt -60.56 -42.48 91.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.247 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.569 HG23 ' HE1' ' B' ' 41' ' ' MET . 69.7 m -56.94 -46.12 82.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.08 0.467 . . . . 0.0 109.916 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.466 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -62.98 -43.55 98.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.442 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.3 mt -59.73 -43.47 94.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.28 -42.97 95.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.545 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.16 -40.04 92.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.7 mt -62.17 -41.81 98.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.867 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.7 m80 -59.91 -39.79 86.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.811 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.74 -39.68 92.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.133 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.05 -37.63 88.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.188 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.414 179.843 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.585 ' O ' HG23 ' C' ' 8' ' ' VAL . 89.5 mt . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.595 0.235 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.84 -44.92 88.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.829 0.347 . . . . 1.9399999999999999 110.349 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.97 -35.25 79.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.336 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.7 -42.43 95.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.585 HG23 ' O ' ' C' ' 4' ' ' LEU . 98.6 t -61.07 -44.05 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.994 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mtp -58.47 -41.51 85.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.603 -0.517 . . . . 0.17999999999999999 109.603 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.52 98.97 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.46 HD21 ' HB ' ' C' ' 54' ' ' VAL . 33.5 mt -62.76 -43.45 98.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.905 0.383 . . . . 0.0 110.43 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.71 -44.38 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.29999999999999999 109.711 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.71 -44.19 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.016 -0.538 . . . . 0.02 110.045 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.48 -46.49 88.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.838 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -60.66 -44.82 96.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.153 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.57 -43.28 99.24 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.039 -1.225 . . . . 0.0 110.039 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' GLN . . . . . 0.504 ' O ' ' OG ' ' C' ' 20' ' ' SER . 91.2 mm-40 -63.23 -44.13 96.11 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.494 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.44 -50.08 74.99 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.24 -46.85 88.35 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.5 p -56.08 -43.63 78.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.41 -41.66 98.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.65 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.662 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.59 -50.02 74.48 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.425 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.3 m-85 -59.9 -41.09 90.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.538 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.67 94.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.778 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.1 89.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.594 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.436 ' HB2' HG23 ' C' ' 91' ' ' ILE . 55.9 tp -61.33 -45.11 95.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.79 -42.38 75.49 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -62.92 -41.3 99.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.89 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.21 95.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.756 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.32 -28.64 69.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.049 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -80.25 -4.09 51.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.448 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.22 14.15 69.62 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.01 78.7 2.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.741 0.305 . . . . 0.0 110.221 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.5 -34.99 79.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.538 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -49.18 76.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.041 0.448 . . . . 0.0 110.748 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.97 79.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.6 82.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.496 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.08 -42.17 98.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.571 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.91 99.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.747 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 91.7 mmm -65.53 -40.79 93.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.556 ' HE1' HG23 ' C' ' 92' ' ' THR . 91.1 mtp -62.61 -41.75 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.662 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.73 -44.5 96.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.454 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.98 -41.24 99.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.7 p -61.17 -46.45 90.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.51 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.532 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.7 ttm-85 -60.29 -42.4 95.41 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.324 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.91 -43.05 99.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.354 0.597 . . . . 0.0 110.516 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.09 92.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.354 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.494 HD21 ' CB ' ' C' ' 18' ' ' ALA . 96.1 mt -65.16 -40.52 94.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.1 -42.0 97.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.381 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.12 -40.46 90.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.09 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.63 -46.22 76.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.432 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.586 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 63.3 t-80 -60.72 -38.53 85.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 0.089999999999999997 110.311 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.1 mt -60.19 -44.52 95.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.46 ' HB ' HD21 ' C' ' 11' ' ' LEU . 75.2 t -65.47 -42.91 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.027 0.441 . . . . 0.0 109.97 178.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' C' ' 11' ' ' LEU . 47.0 tp60 -60.23 -45.2 94.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.911 HG21 HG22 ' D' ' 356' ' ' THR . 18.1 m -54.68 -43.92 72.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.059999999999999998 110.118 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -60.73 -39.61 89.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.517 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.47 -38.86 91.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.3 mt -72.17 -37.29 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.059999999999999998 110.822 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.532 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 mt . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 120.637 0.256 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.558 HG13 HG21 ' C' ' 8' ' ' VAL . 73.1 t -64.63 -47.54 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 130.182 3.393 . . . . 0.0 110.612 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.9 -40.64 91.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.2 -0.454 . . . . 0.11 110.997 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.32 -48.02 89.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.73 -0.668 . . . . 0.40000000000000002 110.22 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.454 ' NE2' ' NE2' ' C' ' 80' ' ' HIS . 48.4 t60 -59.41 -46.39 88.83 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.938 -0.305 . . . . 1.02 110.275 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.51 96.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.93 0.395 . . . . 0.059999999999999998 110.434 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.77 -41.11 99.08 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0900000000000001 110.265 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.464 ' O ' HG23 ' C' ' 83' ' ' THR . 47.6 tp -56.33 -46.19 80.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.529 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.454 ' NE2' ' NE2' ' C' ' 76' ' ' HIS . 71.8 m-70 -66.97 -46.38 74.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.304 -0.407 . . . . 0.080000000000000002 110.802 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.53 -46.42 90.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.836 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.51 -43.38 98.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.395 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.464 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -63.74 -46.4 85.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.172 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.6 t -62.56 -48.35 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.94 -48.68 79.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 110.515 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.25 -44.35 97.4 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.173 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.06 -48.21 80.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.009 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.532 HH12 ' NH2' ' C' ' 45' ' ' ARG . 76.4 ttt-85 -59.2 -45.36 91.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.253 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.4 -44.22 95.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.936 0.398 . . . . 0.0 110.141 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.77 -42.15 97.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.123 0.487 . . . . 0.0 109.976 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.662 HD12 ' HB1' ' C' ' 22' ' ' ALA . 74.7 mt -60.3 -42.52 90.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.556 HG23 ' HE1' ' C' ' 41' ' ' MET . 68.8 m -57.03 -45.84 82.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.097 0.475 . . . . 0.0 109.993 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.34 -43.14 98.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.534 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.55 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.1 mt -59.91 -43.2 95.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.6 -43.04 96.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.528 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.95 -40.11 92.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.98 -42.31 98.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.899 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.55 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.6 m80 -59.48 -40.16 86.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.704 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.68 -39.33 91.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.142 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.98 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.221 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 101' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' C' ' 103' ' ' ALA . 42.0 mt -63.6 -40.58 97.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 58.83 -72.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.455 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 103' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' C' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.223 -0.329 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.536 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.929 0.871 . . . . 0.0 108.893 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.84 143.09 36.62 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.35 38.59 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.946 -1.096 . . . . 0.0 109.581 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.17 149.16 28.46 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.29 18.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.051 -1.031 . . . . 0.0 108.408 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.82 144.37 19.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.55 37.09 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 122.143 0.973 . . . . 0.0 110.119 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.38 25.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.9 -4.3 19.31 Favored 'General case' 0 C--N 1.266 -3.044 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.78 85.68 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 119.774 -1.829 . . . . 0.0 110.597 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.44 -47.74 12.66 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 124.71 3.607 . . . . 0.0 114.142 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.586 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 96.4 m-20 -102.1 27.56 6.53 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 116.076 -2.25 . . . . 0.0 108.81 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.36 -124.16 24.42 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 117.699 -2.191 . . . . 0.0 109.58 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.717 HD11 HD23 ' D' ' 384' ' ' LEU . 3.0 tp -129.71 81.24 2.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.939 -1.33 . . . . 0.0 109.568 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -85.95 176.61 7.96 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 117.933 -1.507 . . . . 0.0 112.09 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 67.0 p -25.68 -62.78 0.07 Allowed 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -51.4 -65.0 1.07 Allowed Pre-proline 0 N--CA 1.494 1.748 0 C-N-CA 120.096 -0.642 . . . . 0.0 112.514 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.61 -32.19 58.66 Favored 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 121.9 1.733 . . . . 0.0 111.495 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.508 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.84 86.75 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.16 -0.963 . . . . 0.0 109.524 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.508 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.92 -39.74 72.51 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.91 -39.48 94.26 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 118.003 -1.479 . . . . 0.0 109.459 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.68 -45.33 93.28 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 122.609 1.195 . . . . 0.0 108.66 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.61 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.9 t -62.61 -42.27 95.31 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.733 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.421 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 96.5 mttt -63.79 -40.35 96.44 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.794 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.58 79.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.446 -0.784 . . . . 0.0 109.586 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.0 91.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.582 -1.324 . . . . 0.0 109.427 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 327' ' ' LYS . . . . . 0.61 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.9 mttp -61.33 -16.25 44.02 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.293 -0.879 . . . . 0.0 113.31 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.62 86.06 Favored Glycine 0 N--CA 1.48 1.58 0 O-C-N 119.873 -1.767 . . . . 0.0 109.301 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.34 32.82 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.321 -1.694 . . . . 0.0 110.077 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.55 -30.12 59.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.243 -0.91 . . . . 0.0 112.361 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.65 158.57 9.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 119.819 -1.8 . . . . 0.0 112.857 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.37 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 102.861 -3.014 . . . . 0.0 102.861 171.194 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.62 60.27 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 CA-C-O 122.194 0.997 . . . . 0.0 109.316 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.4 m -124.94 143.12 51.04 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-O 123.125 1.44 . . . . 0.0 109.968 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.4 t -108.11 129.95 61.47 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.697 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 173.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.6 m -127.45 119.62 26.53 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.914 -1.116 . . . . 0.0 108.939 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.65 39.38 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.542 -0.723 . . . . 0.0 109.846 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.73 38.93 24.23 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.917 -1.114 . . . . 0.0 112.779 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 10.96 83.59 Favored Glycine 0 N--CA 1.501 2.979 0 O-C-N 119.982 -1.699 . . . . 0.0 112.63 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.85 136.18 54.58 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.74 158.51 33.09 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.743 1.735 . . . . 0.0 112.44 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.42 31.44 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 112.484 -2.143 . . . . 0.0 108.572 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.2 t -70.58 135.94 48.87 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 173.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.0 -6.71 47.25 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.681 -1.262 . . . . 0.0 110.766 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.55 13.04 31.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.698 -1.251 . . . . 0.0 109.396 -177.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 97.5 p -133.16 104.17 6.37 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.25 1.024 . . . . 0.0 110.148 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.412 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.0 tp -57.31 -37.78 73.01 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.943 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -58.88 -51.42 70.1 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.561 -1.337 . . . . 0.0 113.099 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.0 -32.41 70.58 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 119.561 -1.962 . . . . 0.0 109.272 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.79 -33.77 75.88 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 118.995 -1.082 . . . . 0.0 109.916 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.532 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.71 -10.36 51.79 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.607 -0.683 . . . . 0.0 109.942 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 37.6 p -89.79 -7.81 53.56 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 118.174 -1.41 . . . . 0.0 110.854 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.34 159.26 15.34 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.185 -0.947 . . . . 0.0 110.202 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.63 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 106.939 -2.464 . . . . 0.0 106.939 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 87.5 mt -119.55 47.39 1.72 Allowed 'General case' 0 C--N 1.309 -1.165 0 O-C-N 120.69 -1.477 . . . . 0.0 107.426 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.911 HG22 HG21 ' C' ' 56' ' ' THR . 4.6 p -81.45 172.57 13.36 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 118.843 -1.143 . . . . 0.0 109.22 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -60.74 140.97 57.37 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.835 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.19 79.11 Favored Glycine 0 N--CA 1.5 2.966 0 C-N-CA 120.069 -1.063 . . . . 0.0 111.38 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.45 136.0 34.02 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.959 -1.318 . . . . 0.0 110.629 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.8 t -96.59 123.68 48.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.15 160.08 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.271 0 C-N-CA 117.451 -1.7 . . . . 0.0 110.647 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.93 128.35 54.85 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 120.562 -1.336 . . . . 0.0 107.567 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.83 121.45 60.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.421 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.23 50.71 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.54 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.41 47.11 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 118.506 -1.278 . . . . 0.0 109.778 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.82 6.43 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 118.524 -1.27 . . . . 0.0 108.049 178.233 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.28 40.09 Favored Glycine 0 C--N 1.296 -1.654 0 C-N-CA 117.994 -2.051 . . . . 0.0 110.355 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.39 -40.62 82.86 Favored 'General case' 0 C--N 1.275 -2.634 0 CA-C-N 114.388 -0.906 . . . . 0.0 112.195 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.08 36.77 3.56 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 115.883 -2.327 . . . . 0.0 108.591 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.48 65.75 Favored 'General case' 0 N--CA 1.521 3.1 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -174.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.471 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.93 -45.66 27.03 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 119.481 -2.012 . . . . 0.0 110.953 -176.56 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.782 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.71 97.75 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.42 77.93 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 117.422 -1.711 . . . . 0.0 110.043 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.3 t -66.87 -42.22 88.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-O 122.204 1.002 . . . . 0.0 109.263 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.82 -47.94 76.3 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-O 122.109 0.956 . . . . 0.0 108.775 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.782 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.76 -38.36 76.73 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.754 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' D' ' 377' ' ' LEU . 81.0 mt -75.54 -28.65 59.15 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.283 -1.51 . . . . 0.0 110.897 -174.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.49 70.99 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.413 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.16 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.15 84.53 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 119.009 -1.076 . . . . 0.0 110.546 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.37 -37.44 85.71 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.94 -1.1 . . . . 0.0 111.534 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.73 61.65 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.093 -1.004 . . . . 0.0 110.298 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.97 -32.28 45.27 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.454 -0.779 . . . . 0.0 111.282 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.717 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.05 125.52 12.32 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 124.367 2.032 . . . . 0.0 112.842 178.677 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.4 tt0 . . . . . 0 C--N 1.277 -2.562 0 CA-C-N 111.14 -2.754 . . . . 0.0 110.089 -177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 8' ' ' VAL . 57.2 mt . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.54 0.21 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -63.38 -48.79 76.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.905 0.383 . . . . 1.9399999999999999 110.256 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -68.0 -36.39 79.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.281 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.458 HG11 HD11 ' A' ' 58' ' ' LEU . 72.0 t -63.73 -43.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 4' ' ' LEU . 87.8 t -60.77 -44.84 98.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.993 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.22 -41.29 88.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.531 -0.544 . . . . 0.17999999999999999 109.531 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.1 -42.48 96.56 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 11' ' ' LEU . 34.4 mt -63.38 -42.89 98.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.156 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.12 -44.4 99.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.537 . . . . 0.20000000000000001 109.71 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' HD2' ' D' ' 324' ' ' LYS . 86.8 mt -63.82 -44.17 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.039 -0.528 . . . . 0.01 109.916 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.501 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 47.2 t-20 -60.34 -45.98 91.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.859 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p -61.15 -42.97 99.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.95 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.551 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.48 -43.65 97.85 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -61.94 -42.96 99.7 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.4 -49.12 78.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.891 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.88 -46.05 92.16 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -55.81 -44.25 77.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.97 -42.0 98.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.693 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.556 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.57 -48.16 80.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.397 0.618 . . . . 0.0 109.336 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -60.21 -41.76 93.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.64 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.65 95.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.768 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -43.16 88.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.648 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.4 -45.52 93.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.465 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -55.2 -43.25 74.23 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.5 mt-30 -61.55 -41.51 97.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.773 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.93 93.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.697 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.55 -28.98 69.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.109 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.32 -4.75 54.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.471 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.41 15.03 67.2 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -98.68 78.68 2.37 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.244 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -64.82 -34.73 79.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.678 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.35 79.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.069 0.461 . . . . 0.0 110.729 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -65.17 -35.21 80.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.321 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.69 82.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.62 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.71 -42.51 99.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.586 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.76 98.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.79 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.79 -42.11 91.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.482 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.581 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.8 mtm -63.77 -40.3 96.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.63 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.65 -44.77 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.978 0.418 . . . . 0.0 110.447 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -64.06 -40.87 97.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.167 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.4 t -61.21 -45.95 92.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.576 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -60.25 -42.04 94.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.38 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -61.95 -41.57 98.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.214 0.531 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.41 99.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.22 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.83 -39.76 91.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.642 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -60.92 -41.71 96.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.283 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.25 -39.72 93.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.215 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.29 -43.41 81.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.448 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -63.23 -37.94 89.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.089999999999999997 110.407 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.1 mt -61.18 -44.46 97.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.368 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.2 -43.58 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 0.0 109.972 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -59.95 -42.81 94.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.273 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.582 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 82.2 m -57.49 -42.6 83.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.059999999999999998 110.006 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.68 -39.29 93.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.531 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.458 HD11 HG11 ' A' ' 7' ' ' VAL . 96.2 mt -62.96 -28.43 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.459 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 96.3 mt -86.0 -30.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.099 -0.5 . . . . 0.050000000000000003 110.858 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.513 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.3 p . . . . . 0 C--O 1.227 -0.128 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.2 -43.75 83.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.645 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.534 ' CG1' HG21 ' A' ' 8' ' ' VAL . 77.8 t -62.83 -45.08 99.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.882 0.372 . . . . 0.0 110.577 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.97 -38.85 90.08 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.009 0.433 . . . . 0.11 110.931 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 71' ' ' SER . 64.7 t -58.54 -47.38 88.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.762 -0.654 . . . . 0.38 110.182 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -57.36 -44.23 84.21 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.357 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.81 98.73 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.483 -0.326 . . . . 0.059999999999999998 110.602 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.457 ' OE1' ' NE2' ' A' ' 55' ' ' GLN . 28.5 mm100 -61.28 -41.04 96.28 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.212 -0.449 . . . . 1.0900000000000001 110.16 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 83' ' ' THR . 47.4 tp -58.26 -44.4 88.36 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.447 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -68.1 -49.09 63.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.323 -0.398 . . . . 0.080000000000000002 110.738 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.65 -45.65 93.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.788 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.43 -43.3 99.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.165 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.3 p -64.26 -46.73 82.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.111 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -62.65 -49.95 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.472 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.43 -48.55 78.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.486 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.47 -44.79 96.48 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.066 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.08 82.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.825 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -58.1 -46.32 85.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.101 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -60.78 -43.56 97.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.012 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.39 -42.62 96.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.163 0.506 . . . . 0.0 109.882 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.556 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.2 mt -60.42 -42.32 90.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.289 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.9 m -57.89 -45.92 85.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.884 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.509 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.6 mt-10 -63.22 -42.64 99.29 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.27 -42.45 95.4 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.581 HD12 ' SD ' ' A' ' 41' ' ' MET . 84.7 mt -60.96 -43.04 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.501 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.27 -38.49 89.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.118 0.485 . . . . 0.0 109.712 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 97' ' ' LEU . 41.2 mt -62.22 -41.99 98.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.872 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -60.65 -40.05 90.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.36 -38.04 89.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.141 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -65.06 -40.39 94.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.188 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.418 179.722 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.728 ' O ' HG23 ' B' ' 8' ' ' VAL . 57.8 mt . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.583 0.23 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -63.32 -48.83 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.893 0.378 . . . . 1.9399999999999999 110.402 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.87 -36.33 80.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.219 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.479 HG11 HD11 ' B' ' 58' ' ' LEU . 73.2 t -63.89 -43.08 97.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.436 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.728 HG23 ' O ' ' B' ' 4' ' ' LEU . 88.2 t -60.8 -44.87 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.884 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.5 mtp -59.21 -41.35 88.4 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.563 -0.532 . . . . 0.17999999999999999 109.563 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.96 -42.64 96.74 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 11' ' ' LEU . 34.3 mt -63.38 -42.81 98.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 0.0 110.331 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.28 -44.2 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.28999999999999998 109.685 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.86 -44.24 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.02 109.941 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.49 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 47.9 t-20 -60.32 -45.93 91.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.852 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -61.05 -42.96 99.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.163 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.48 -43.29 98.38 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.18 -43.02 99.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.63 80.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.84 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.21 -45.67 93.6 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.6 m -56.21 -44.16 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.1 -41.74 98.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.737 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.84 -48.2 80.47 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.462 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.2 m-85 -60.09 -42.04 93.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.63 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.57 93.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.797 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.92 89.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.629 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.79 -45.4 94.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.379 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -55.54 -43.15 75.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.439 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.6 mt-30 -61.52 -40.89 96.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.852 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.64 96.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.675 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.87 -29.03 69.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.052 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.38 -4.8 54.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.65 14.94 66.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.55 78.79 2.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.76 0.314 . . . . 0.0 110.374 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -64.97 -34.74 79.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.606 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.45 79.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.111 0.481 . . . . 0.0 110.768 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.439 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.22 -34.82 79.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.422 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.73 81.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.529 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.51 -42.73 99.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.583 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.0 98.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.651 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.73 -42.27 91.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.589 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.5 mtm -63.64 -40.44 96.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.555 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.47 -44.77 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.923 0.392 . . . . 0.0 110.458 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.01 -40.73 97.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.297 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -61.65 -45.59 93.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.44 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -60.41 -41.95 94.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.248 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.92 -41.88 98.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.277 0.561 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.23 99.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.115 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 48' ' ' LEU . 91.0 mt -65.95 -39.67 90.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.728 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.01 -41.6 96.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.335 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.38 -39.69 92.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.49 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.39 -42.96 82.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.441 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.78 -37.67 88.24 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.089999999999999997 110.271 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 53' ' ' LEU . 40.3 mt -61.26 -44.25 97.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.371 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.68 -43.1 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.009 0.433 . . . . 0.0 110.044 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.569 ' OE1' ' N ' ' B' ' 56' ' ' THR . 1.0 OUTLIER -60.23 -42.72 95.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.227 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.569 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 86.3 m -57.68 -42.96 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.059999999999999998 110.009 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.26 -39.11 91.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.929 0.395 . . . . 0.0 110.562 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.479 HD11 HG11 ' B' ' 7' ' ' VAL . 96.2 mt -63.4 -28.04 69.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.757 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' NE2' ' B' ' 55' ' ' GLN . 96.4 mt -86.24 -30.7 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.546 . . . . 0.040000000000000001 110.746 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.58 179.856 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.497 ' O ' HG23 ' B' ' 75' ' ' VAL . 93.4 p . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 121.091 0.472 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.24 -43.24 92.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.548 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.515 ' CG1' HG21 ' B' ' 8' ' ' VAL . 79.2 t -62.46 -44.63 99.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.576 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.09 -38.47 88.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.122 0.487 . . . . 0.11 110.95 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 71' ' ' SER . 64.8 t -58.81 -47.19 90.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.804 -0.634 . . . . 0.38 110.302 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.467 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 11.5 t-160 -57.39 -44.21 84.3 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.863 -0.335 . . . . 1.1100000000000001 110.303 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.88 98.66 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.843 0.354 . . . . 0.059999999999999998 110.4 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.465 ' OE1' ' NE2' ' B' ' 55' ' ' GLN . 28.3 mm100 -61.3 -40.82 95.58 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.0900000000000001 110.234 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 83' ' ' THR . 48.2 tp -58.54 -44.55 89.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.419 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.467 ' CE1' ' NE2' ' B' ' 76' ' ' HIS . 52.9 m170 -67.96 -48.77 64.95 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.732 -0.387 . . . . 0.080000000000000002 110.729 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.02 -45.46 93.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.879 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.43 -43.01 99.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.253 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.514 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.4 p -64.73 -46.26 82.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.49 -50.16 72.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.5 -48.53 79.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.486 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.5 -44.51 96.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.067 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.97 83.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.893 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -58.36 -46.0 87.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.225 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.44 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.3 mt-10 -60.89 -43.56 98.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.167 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.37 -42.56 96.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.188 0.518 . . . . 0.0 110.003 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.576 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.2 mt -60.58 -42.48 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.251 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -57.64 -46.0 84.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.099 0.476 . . . . 0.0 109.842 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.518 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.6 mt-10 -63.29 -42.35 99.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.456 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.509 HD13 ' OE1' ' A' ' 93' ' ' GLU . 79.5 mt -60.44 -42.72 96.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.589 HD12 ' SD ' ' B' ' 41' ' ' MET . 85.8 mt -60.8 -43.0 94.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.533 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.12 -38.69 89.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.721 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 97' ' ' LEU . 40.4 mt -62.27 -41.73 98.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.797 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -60.79 -39.98 90.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.732 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.24 -38.49 91.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.1 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.79 -40.22 94.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.149 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.396 179.753 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.735 ' O ' HG23 ' C' ' 8' ' ' VAL . 57.1 mt . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.619 0.247 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -63.21 -49.03 75.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.816 0.341 . . . . 1.9399999999999999 110.382 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.5 -36.59 81.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.334 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.474 HG11 HD11 ' C' ' 58' ' ' LEU . 71.6 t -63.57 -42.83 97.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.735 HG23 ' O ' ' C' ' 4' ' ' LEU . 86.8 t -61.27 -44.61 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.972 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.7 mtp -59.59 -41.04 89.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.562 -0.533 . . . . 0.17999999999999999 109.562 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.16 -42.62 96.36 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' C' ' 11' ' ' LEU . 34.6 mt -63.12 -43.05 99.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 110.34 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.15 -44.34 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.29999999999999999 109.699 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.51 -44.33 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.02 110.055 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.502 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 47.9 t-20 -60.17 -46.35 89.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.818 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.0 p -60.6 -43.07 97.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.176 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.45 -43.7 97.81 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -61.92 -42.94 99.67 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -49.03 78.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.784 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -61.12 -45.57 94.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -56.33 -44.49 80.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.58 -41.67 97.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.709 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.82 -48.28 80.2 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.44 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.5 m-85 -60.25 -41.85 94.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.567 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.38 94.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.72 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.94 89.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.616 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.67 -45.28 94.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.468 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -55.68 -43.1 76.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.539 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.6 mt-30 -61.66 -40.62 95.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.182 0.515 . . . . 0.0 110.025 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.75 96.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.796 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.97 -28.91 69.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.07 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.32 -4.64 54.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.453 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.36 15.0 67.38 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.7 78.15 2.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.752 0.31 . . . . 0.0 110.223 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -64.34 -35.08 79.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.56 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.22 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.067 0.461 . . . . 0.0 110.745 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ALA . . . . . 0.445 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.36 -34.37 78.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.43 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.58 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.491 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.28 -43.23 99.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.557 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.11 -41.82 99.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mmm -65.81 -42.14 91.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.567 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.1 mtm -63.79 -40.56 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.68 -44.51 96.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.441 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.98 -40.97 97.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.273 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 42.7 t -61.52 -45.32 94.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -60.64 -41.82 95.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.281 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.02 -41.82 98.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.384 0.611 . . . . 0.0 110.552 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.65 99.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.316 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 48' ' ' LEU . 91.5 mt -65.64 -39.89 91.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.04 -41.52 96.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.379 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.24 -40.08 93.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 109.963 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.502 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.99 -43.46 82.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.467 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.14 -37.75 88.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.089999999999999997 110.332 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -61.61 -43.92 97.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.317 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.76 -43.26 93.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.056 0.455 . . . . 0.0 109.99 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.585 ' OE1' ' N ' ' C' ' 56' ' ' THR . 1.1 tm0? -60.29 -42.8 96.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.223 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.967 HG21 HG22 ' D' ' 356' ' ' THR . 90.1 m -57.6 -42.5 83.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.059999999999999998 110.161 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.78 -38.98 92.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.911 0.386 . . . . 0.0 110.529 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.474 HD11 HG11 ' C' ' 7' ' ' VAL . 96.3 mt -63.33 -27.97 69.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.79 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.462 ' CD1' ' NE2' ' C' ' 55' ' ' GLN . 96.3 mt -86.29 -30.73 6.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.569 . . . . 0.059999999999999998 110.863 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.519 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.7 mm-40 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.44 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tt . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.585 0.231 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.479 ' CG1' HG21 ' C' ' 8' ' ' VAL . 76.8 t -63.16 -44.87 99.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 130.111 3.364 . . . . 0.0 110.532 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.15 -38.6 91.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.086 0.47 . . . . 0.11 110.979 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 65.7 t -58.82 -47.74 88.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.842 -0.617 . . . . 0.40000000000000002 110.203 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.459 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 11.3 t-160 -57.58 -43.89 84.92 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.907 -0.317 . . . . 1.02 110.388 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.09 98.58 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.371 . . . . 0.059999999999999998 110.384 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' GLN . . . . . 0.446 ' OE1' ' NE2' ' C' ' 55' ' ' GLN . 28.4 mm100 -61.07 -41.03 95.86 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.301 -0.409 . . . . 1.0900000000000001 110.258 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.522 ' O ' HG23 ' C' ' 83' ' ' THR . 46.0 tp -58.13 -44.59 87.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.483 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.459 ' CE1' ' NE2' ' C' ' 76' ' ' HIS . 52.5 m170 -68.13 -48.74 64.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.292 -0.413 . . . . 0.080000000000000002 110.764 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.95 -45.51 93.33 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.809 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.3 mmm -61.36 -43.27 99.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.377 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.522 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.9 p -64.25 -46.85 81.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.255 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.16 -50.29 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.553 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.3 -48.7 78.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.489 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.24 -44.86 96.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.157 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.11 82.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.944 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -58.23 -45.99 86.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.282 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.61 -43.77 97.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.195 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.41 -42.63 95.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.199 0.523 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.576 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.2 mt -60.36 -42.64 91.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.375 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 87.1 m -57.39 -46.11 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.102 0.477 . . . . 0.0 109.996 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.22 -42.65 99.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.501 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.518 HD13 ' OE1' ' B' ' 93' ' ' GLU . 79.5 mt -60.04 -42.62 94.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.567 HD12 ' SD ' ' C' ' 41' ' ' MET . 84.4 mt -60.91 -43.14 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.624 179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.9 -38.58 88.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.746 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' C' ' 97' ' ' LEU . 40.4 mt -62.28 -41.65 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.869 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -60.95 -39.98 91.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' C' ' 102' ' ' LYS . 84.0 tt0 -63.29 -38.58 91.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.052 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.49 -40.29 95.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.233 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.88 -42.38 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.361 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 102' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.4 mttt -91.02 145.04 25.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.457 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.559 179.885 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 121.892 0.853 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.85 142.98 36.55 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.28 38.56 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.07 -1.019 . . . . 0.0 109.586 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.3 mm-40 -152.14 149.22 28.54 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.3 152.34 18.98 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.012 -1.055 . . . . 0.0 108.368 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.41 19.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.78 136.54 37.18 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.146 0.974 . . . . 0.0 110.104 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.93 114.26 24.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.87 -4.25 19.42 Favored 'General case' 0 C--N 1.265 -3.088 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.82 85.81 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 119.685 -1.884 . . . . 0.0 110.597 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.52 -47.68 12.92 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 124.734 3.623 . . . . 0.0 114.156 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.11 27.52 6.57 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 116.047 -2.261 . . . . 0.0 108.829 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.61 -126.97 28.14 Favored Glycine 0 N--CA 1.497 2.745 0 C-N-CA 117.611 -2.233 . . . . 0.0 109.537 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.756 HD11 HD23 ' D' ' 384' ' ' LEU . 3.5 tp -127.7 78.08 1.8 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.985 -1.303 . . . . 0.0 109.501 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -85.38 177.12 7.91 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 117.899 -1.521 . . . . 0.0 112.124 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 41.1 p -23.02 -70.47 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.551 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.6 ttt-85 -45.97 -65.83 0.61 Allowed Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.444 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.1 -32.17 64.19 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.95 1.767 . . . . 0.0 111.53 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.499 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.87 86.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.225 -0.922 . . . . 0.0 109.471 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.68 72.49 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.91 -39.39 94.07 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.034 -1.467 . . . . 0.0 109.493 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.7 -45.31 93.36 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.662 1.22 . . . . 0.0 108.683 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.609 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 58.6 t -62.67 -42.3 95.54 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.624 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.402 ' HD2' HD13 ' A' ' 13' ' ' ILE . 76.7 mttt -63.85 -40.23 96.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.204 -0.935 . . . . 0.0 109.818 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.526 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.75 -39.75 80.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.508 -0.745 . . . . 0.0 109.547 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.0 91.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.598 -1.314 . . . . 0.0 109.393 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 327' ' ' LYS . . . . . 0.609 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.6 mttp -61.33 -16.26 44.16 Favored 'General case' 0 N--CA 1.511 2.575 0 O-C-N 121.32 -0.862 . . . . 0.0 113.313 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.53 86.06 Favored Glycine 0 N--CA 1.479 1.526 0 O-C-N 119.921 -1.737 . . . . 0.0 109.41 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.422 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.52 143.37 32.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.241 -1.74 . . . . 0.0 109.984 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.5 p -75.68 -30.03 59.23 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.267 -0.895 . . . . 0.0 112.275 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.71 158.48 10.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.826 -1.796 . . . . 0.0 112.834 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.585 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.2 35.34 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 102.878 -3.008 . . . . 0.0 102.878 171.221 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.67 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.435 0 O-C-N 121.107 -0.996 . . . . 0.0 109.313 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.98 143.18 51.03 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-O 123.095 1.426 . . . . 0.0 109.979 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.1 t -108.02 129.96 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 173.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.4 m -127.54 119.54 26.23 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.894 -1.128 . . . . 0.0 108.928 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.55 39.16 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 119.941 -0.703 . . . . 0.0 109.966 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.82 38.9 24.49 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.895 -1.128 . . . . 0.0 112.7 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.76 10.95 83.52 Favored Glycine 0 N--CA 1.503 3.123 0 O-C-N 119.975 -1.703 . . . . 0.0 112.515 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.84 136.26 54.55 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.8 158.55 33.08 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.805 1.764 . . . . 0.0 112.335 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.35 31.33 Favored 'General case' 0 C--N 1.279 -2.459 0 CA-C-N 112.453 -2.158 . . . . 0.0 108.598 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.57 135.98 48.91 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.434 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.02 -6.79 47.81 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.697 -1.252 . . . . 0.0 110.686 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.5 13.0 31.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.614 -1.304 . . . . 0.0 109.391 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.6 t -133.08 104.18 6.39 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.208 1.004 . . . . 0.0 110.152 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.24 -37.92 73.01 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.006 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -58.82 -51.45 69.94 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.63 -1.294 . . . . 0.0 113.034 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.54 70.77 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 119.505 -1.997 . . . . 0.0 109.178 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.72 -33.69 75.64 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.002 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.519 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.78 -10.37 52.18 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.657 -0.652 . . . . 0.0 109.932 -177.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.0 p -89.82 -7.73 53.68 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 118.081 -1.448 . . . . 0.0 110.937 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.6 mt -93.31 159.34 15.31 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.226 -0.921 . . . . 0.0 110.215 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 106.927 -2.469 . . . . 0.0 106.927 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 355' ' ' LEU . . . . . 0.44 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.2 mt -119.57 47.38 1.72 Allowed 'General case' 0 C--N 1.308 -1.202 0 O-C-N 120.703 -1.469 . . . . 0.0 107.343 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.967 HG22 HG21 ' C' ' 56' ' ' THR . 72.1 p -81.4 172.48 13.49 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.274 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.63 140.88 57.26 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.936 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.22 79.09 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 120.024 -1.084 . . . . 0.0 111.411 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.41 135.86 34.1 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.957 -1.319 . . . . 0.0 110.698 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.42 123.73 48.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.1 m -112.18 160.09 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 117.404 -1.718 . . . . 0.0 110.614 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.88 128.44 54.92 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.506 -1.371 . . . . 0.0 107.58 175.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.84 121.44 60.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 176.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.22 50.72 Favored 'General case' 0 C--N 1.284 -2.248 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.36 47.14 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.556 -1.258 . . . . 0.0 109.769 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.78 6.43 Favored 'General case' 0 C--N 1.288 -2.066 0 C-N-CA 118.57 -1.252 . . . . 0.0 108.025 178.249 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.39 40.14 Favored Glycine 0 C--N 1.295 -1.703 0 C-N-CA 118.023 -2.036 . . . . 0.0 110.359 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.27 -40.65 82.43 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 114.388 -0.906 . . . . 0.0 112.243 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.03 36.81 3.53 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 115.856 -2.337 . . . . 0.0 108.555 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.27 -33.66 65.7 Favored 'General case' 0 N--CA 1.522 3.157 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.467 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.57 27.58 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.624 -1.922 . . . . 0.0 111.003 -176.511 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.776 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.79 98.01 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.51 77.6 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 117.468 -1.693 . . . . 0.0 110.037 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.87 -42.2 88.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.223 1.011 . . . . 0.0 109.275 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.87 -47.96 76.41 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-O 122.083 0.944 . . . . 0.0 108.68 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.776 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.84 -38.22 76.44 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.686 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.5 mt -75.62 -28.65 58.92 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.404 -1.435 . . . . 0.0 110.859 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.59 71.45 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.455 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.84 -49.33 62.76 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.526 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.21 -45.18 84.06 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.044 -1.062 . . . . 0.0 110.56 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.35 85.42 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.877 -1.139 . . . . 0.0 111.545 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.88 61.71 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.041 -1.037 . . . . 0.0 110.27 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.81 -32.39 46.27 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.459 -0.776 . . . . 0.0 111.325 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.756 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.09 125.41 12.15 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 124.327 2.013 . . . . 0.0 112.874 178.714 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.8 mt-10 . . . . . 0 C--N 1.278 -2.527 0 CA-C-N 111.11 -2.768 . . . . 0.0 110.155 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 8' ' ' VAL . 57.8 mt . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.42 -47.25 79.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.948 0.404 . . . . 1.9399999999999999 110.314 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.56 -35.5 80.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.284 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.32 -42.4 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 4' ' ' LEU . 88.3 t -60.4 -44.27 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.947 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.8 -41.77 87.52 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.534 -0.543 . . . . 0.17999999999999999 109.534 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.94 -42.1 98.43 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.93 -42.59 99.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.869 0.366 . . . . 0.0 110.242 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.09 -43.92 99.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.02 -0.536 . . . . 0.20000000000000001 109.763 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.433 HD11 ' HB1' ' D' ' 320' ' ' ALA . 86.1 mt -63.53 -43.98 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.004 -0.544 . . . . 0.01 109.967 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -60.81 -45.61 93.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.751 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -60.58 -43.95 96.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.946 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.571 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.11 -42.71 99.45 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.19 -43.11 99.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.575 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.09 -49.49 76.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -60.49 -45.82 92.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -55.51 -44.49 76.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.32 -42.5 98.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.651 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.557 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.5 -50.33 74.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.7 -41.83 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.607 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.87 95.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -42.51 80.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.68 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.85 -44.91 96.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.457 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.4 -41.46 76.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.18 -43.67 98.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.831 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.61 93.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.647 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' NZ ' ' NE2' ' A' ' 98' ' ' HIS . 69.2 mmtt -61.11 -29.52 69.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.188 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -82.0 -3.89 55.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.497 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.91 15.93 73.86 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -96.79 81.11 3.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.78 0.324 . . . . 0.0 110.292 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -64.6 -34.95 79.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.669 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.51 83.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.032 0.444 . . . . 0.0 110.754 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.85 81.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.388 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.62 79.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.576 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -61.7 -42.59 99.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.638 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.52 99.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.8 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -64.86 -40.68 95.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.2 mmt -62.02 -41.49 98.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.665 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.48 -43.61 98.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.4 . . . . 0.0 110.493 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -65.36 -41.26 94.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.172 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.77 -46.23 90.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -60.62 -42.04 96.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.316 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.38 -43.66 98.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.233 0.539 . . . . 0.0 110.608 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.05 97.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.25 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.575 HD21 ' CB ' ' A' ' 18' ' ' ALA . 87.5 mt -64.7 -40.5 95.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.609 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.414 HD22 ' HA ' ' A' ' 49' ' ' ASN . 8.1 m120 -61.05 -41.85 97.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.267 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.67 -40.61 92.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.187 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.3 78.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.501 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -60.7 -39.29 87.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.089999999999999997 110.345 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.6 mt -60.4 -44.29 95.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.341 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.57 -43.27 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.096 0.474 . . . . 0.0 110.037 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.676 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -59.67 -44.44 93.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.241 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -56.75 -42.5 79.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.059999999999999998 110.107 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.57 -38.95 89.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.496 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.78 -32.7 74.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.687 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.614 HD11 ' OE1' ' A' ' 55' ' ' GLN . 76.8 mt -77.3 -32.23 18.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.033 -0.53 . . . . 0.050000000000000003 110.864 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.587 ' O ' HG23 ' A' ' 75' ' ' VAL . 87.1 p . . . . . 0 C--O 1.226 -0.133 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 72' ' ' LEU . 35.2 mt -57.4 -45.94 84.02 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.609 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.563 HG13 HG21 ' A' ' 8' ' ' VAL . 72.1 t -64.24 -47.44 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-O 120.946 0.403 . . . . 0.0 110.621 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.676 ' CD2' HE22 ' A' ' 55' ' ' GLN . 83.3 mt -63.66 -42.08 98.12 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.168 -0.469 . . . . 0.11 110.903 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 71' ' ' SER . 53.5 t -59.86 -47.54 91.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.735 -0.666 . . . . 0.38 110.285 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -59.09 -45.5 90.68 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.294 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.81 94.77 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.752 0.311 . . . . 0.059999999999999998 110.682 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.43 -40.06 95.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 1.0900000000000001 110.156 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 83' ' ' THR . 46.8 tp -56.42 -47.48 78.95 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.406 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -67.95 -46.24 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 0.080000000000000002 110.716 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.6 mt -60.74 -46.52 90.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.82 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.52 -42.71 99.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.205 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.5 p -64.35 -46.63 82.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.058 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.14 -49.41 75.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.49 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -58.05 -47.59 82.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.505 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.98 -44.6 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.058 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.4 80.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.82 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -58.06 -45.26 87.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.088 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.486 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -61.7 -43.62 98.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.04 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.22 -43.08 92.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.193 0.521 . . . . 0.0 109.861 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.557 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.2 mt -60.84 -42.59 93.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.249 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -57.95 -45.57 86.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 109.876 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.552 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.3 mt-10 -64.14 -43.49 95.05 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 70.8 mt -59.15 -43.83 92.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.0 -42.69 94.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.47 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.92 -40.43 93.13 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.29 -42.25 99.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.86 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.571 ' NE2' ' NZ ' ' A' ' 30' ' ' LYS . 67.4 m80 -60.2 -39.88 88.12 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -61.84 -40.96 97.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.214 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.57 -38.01 88.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.217 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.448 -179.779 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.613 ' O ' HG23 ' B' ' 8' ' ' VAL . 59.0 mt . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.557 0.218 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.3 -47.13 80.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.94 0.4 . . . . 1.9399999999999999 110.387 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.49 -35.64 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.229 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.39 -42.12 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.32 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.613 HG23 ' O ' ' B' ' 4' ' ' LEU . 85.7 t -60.69 -44.35 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.863 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.85 -41.96 88.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.55 -0.537 . . . . 0.17999999999999999 109.55 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.78 -42.08 98.66 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.89 -42.63 99.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 110.375 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.18 -44.01 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.52 . . . . 0.28999999999999998 109.646 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.27 -44.19 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.02 109.999 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.84 -45.36 94.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.822 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -60.45 -44.15 96.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.135 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.27 -42.15 99.36 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.55 -43.05 98.2 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.582 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.06 -49.16 77.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.934 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.471 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 77.2 ttt180 -60.68 -45.73 93.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -55.78 -44.33 77.62 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.19 -42.57 99.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.565 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.77 -50.15 74.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.486 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 7.8 m-85 -59.64 -41.95 91.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.705 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.94 95.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.671 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.26 80.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.675 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.05 -45.04 96.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.34 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.48 -41.17 76.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.47 -43.2 99.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.855 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.55 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.65 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.604 ' NZ ' ' NE2' ' B' ' 98' ' ' HIS . 69.3 mmtt -60.96 -29.88 69.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.059 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.95 -3.8 55.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.397 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.63 15.92 74.57 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.48 80.86 3.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.813 0.339 . . . . 0.0 110.356 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -64.4 -35.15 79.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.59 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.66 83.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.015 0.436 . . . . 0.0 110.789 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.65 81.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.398 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.56 78.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -61.52 -43.1 99.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.43 99.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.5 mmm -65.05 -40.58 94.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.555 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.0 mmt -62.17 -41.6 98.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.587 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.36 -43.8 97.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.463 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.11 -41.39 94.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.249 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.7 -46.61 88.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.471 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -60.14 -42.16 94.25 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.304 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 54.3 ttp -61.17 -43.67 98.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.282 0.563 . . . . 0.0 110.688 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.63 96.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.099 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.582 HD21 ' CB ' ' B' ' 18' ' ' ALA . 87.6 mt -64.94 -40.24 94.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.767 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.25 -41.73 97.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.385 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.48 -41.01 93.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.152 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.75 -45.33 78.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.493 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.72 -39.34 88.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.089999999999999997 110.223 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.2 mt -60.44 -44.04 96.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.318 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.0 -43.18 92.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.011 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.681 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.1 OUTLIER -59.47 -44.71 92.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.196 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.67 -42.61 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.059999999999999998 109.933 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.41 -39.05 89.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.932 0.396 . . . . 0.0 110.593 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.75 -32.73 74.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.61 HD11 ' OE1' ' B' ' 55' ' ' GLN . 77.9 mt -77.31 -32.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.5 . . . . 0.040000000000000001 110.737 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.583 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.612 ' O ' HG23 ' B' ' 75' ' ' VAL . 96.2 p . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 121.053 0.454 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 72' ' ' LEU . 39.0 mt -59.7 -45.59 91.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.504 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.563 HG13 HG21 ' B' ' 8' ' ' VAL . 76.4 t -63.75 -46.57 94.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.763 0.316 . . . . 0.0 110.63 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.681 ' CD2' HE22 ' B' ' 55' ' ' GLN . 83.5 mt -64.13 -41.19 97.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.11 110.948 -179.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 71' ' ' SER . 53.2 t -60.71 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.849 -0.614 . . . . 0.38 110.264 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.409 ' O ' ' HD2' ' B' ' 80' ' ' HIS . 54.4 t-80 -59.47 -45.52 91.41 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.841 -0.344 . . . . 1.1100000000000001 110.367 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.55 96.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.945 0.403 . . . . 0.059999999999999998 110.414 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -62.84 -40.14 96.52 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0900000000000001 110.238 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 83' ' ' THR . 48.1 tp -56.8 -46.64 81.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.398 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.409 ' HD2' ' O ' ' B' ' 76' ' ' HIS . 25.9 m-70 -68.43 -46.15 70.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.383 -0.371 . . . . 0.080000000000000002 110.681 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.97 -46.3 91.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.856 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.69 -42.59 99.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.268 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.9 p -64.25 -46.84 81.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.16 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -61.9 -49.59 75.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.61 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.76 -48.04 80.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.468 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.82 -44.31 97.1 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.175 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.69 84.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.891 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -58.4 -45.5 88.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.285 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.481 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.8 mt-10 -61.28 -43.92 98.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.143 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.95 -43.03 94.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 109.963 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.565 HD12 ' HB1' ' B' ' 22' ' ' ALA . 75.9 mt -60.87 -42.36 92.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.238 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -58.12 -46.05 86.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.077 0.465 . . . . 0.0 109.854 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.558 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.58 -43.74 96.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.414 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.552 HD13 ' OE1' ' A' ' 93' ' ' GLU . 71.9 mt -58.8 -43.96 90.65 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.02 -42.87 94.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.564 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.53 -40.45 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.54 -42.49 99.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.801 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.604 ' NE2' ' NZ ' ' B' ' 30' ' ' LYS . 67.2 m80 -59.74 -40.33 87.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.788 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -40.87 96.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.156 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.78 -38.12 88.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.133 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 38.9 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.325 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.628 ' O ' HG23 ' C' ' 8' ' ' VAL . 56.9 mt . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.592 0.234 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.41 -47.16 80.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.803 0.335 . . . . 1.9399999999999999 110.348 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.47 -35.68 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.323 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.09 -42.55 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.365 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.628 HG23 ' O ' ' C' ' 4' ' ' LEU . 89.8 t -60.21 -44.56 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.013 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.78 -41.49 86.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.621 -0.511 . . . . 0.17999999999999999 109.621 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -41.96 98.06 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.98 -42.34 99.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.343 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.45 -44.06 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.29999999999999999 109.629 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.17 -44.06 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.02 110.1 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.96 -45.28 95.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.784 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.7 -44.01 97.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.165 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -42.27 99.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -63.69 -42.61 97.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.848 -0.426 . . . . 0.0 109.848 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.56 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.44 -49.54 76.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.747 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.481 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 77.3 ttt180 -60.37 -46.11 91.12 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -55.43 -44.68 76.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.77 -42.74 99.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.68 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.578 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.48 -50.51 73.63 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.455 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 7.9 m-85 -59.46 -41.88 90.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.531 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.2 95.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.736 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.08 85.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.576 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.84 -44.88 96.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.404 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.78 -41.12 77.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.59 -43.36 99.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.168 0.509 . . . . 0.0 109.879 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.77 94.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.775 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' LYS . . . . . 0.606 ' NZ ' ' NE2' ' C' ' 98' ' ' HIS . 69.3 mmtt -60.97 -29.82 69.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.1 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.7 -3.84 54.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.513 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.75 16.22 73.51 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.85 81.1 3.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -64.64 -34.92 79.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.483 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.64 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.1 0.476 . . . . 0.0 110.672 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.66 81.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.371 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.56 -48.74 78.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -61.52 -42.76 99.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.576 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.74 99.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -64.77 -40.84 95.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 11.1 mmt -61.87 -41.79 98.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.572 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.49 -43.65 98.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.42 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -64.99 -41.97 94.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.292 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.21 -46.56 89.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.604 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -60.31 -42.1 94.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.338 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 54.2 ttp -61.06 -43.91 98.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.36 0.6 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.97 97.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.359 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.56 HD21 ' CB ' ' C' ' 18' ' ' ALA . 87.0 mt -64.55 -40.36 95.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.708 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.46 -41.69 97.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.43 -41.05 93.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.033 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.64 78.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.436 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' D' ' 312' ' ' ASN . 84.0 t60 -60.46 -39.32 87.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.048 -0.523 . . . . 0.089999999999999997 110.307 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.52 -44.03 96.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.297 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.77 -43.45 93.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.096 0.474 . . . . 0.0 109.963 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.707 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.1 OUTLIER -59.42 -44.82 92.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.245 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.887 HG21 HG22 ' D' ' 356' ' ' THR . 18.9 m -56.59 -42.32 78.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.303 -0.408 . . . . 0.059999999999999998 110.177 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.66 -39.04 89.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.509 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 58' ' ' LEU . 99.1 mt -63.42 -32.74 74.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.611 HD11 ' OE1' ' C' ' 55' ' ' GLN . 76.8 mt -77.49 -32.24 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.053 -0.521 . . . . 0.059999999999999998 110.829 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 76.0 mm-40 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 120.683 0.277 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.567 HG13 HG21 ' C' ' 8' ' ' VAL . 79.0 t -64.63 -47.51 88.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 130.104 3.362 . . . . 0.0 110.621 -178.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.707 ' CD2' HE22 ' C' ' 55' ' ' GLN . 86.3 mt -65.57 -41.46 92.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.101 0.477 . . . . 0.11 110.982 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.61 -47.91 90.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.806 -0.634 . . . . 0.40000000000000002 110.177 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.407 ' O ' ' HD2' ' C' ' 80' ' ' HIS . 54.5 t-80 -59.17 -45.66 90.43 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.835 -0.346 . . . . 1.02 110.352 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.66 95.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.873 0.368 . . . . 0.059999999999999998 110.377 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.6 -40.15 96.01 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.229 -0.442 . . . . 1.0900000000000001 110.242 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' C' ' 83' ' ' THR . 47.7 tp -56.65 -47.13 80.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.472 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' C' ' 76' ' ' HIS . 26.3 m-70 -68.0 -46.4 71.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.361 -0.381 . . . . 0.080000000000000002 110.717 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.8 mt -60.83 -46.17 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.81 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.88 -42.25 98.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.358 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -64.62 -46.78 81.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.143 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 10.9 t -62.12 -49.31 76.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.574 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.74 -48.09 80.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.496 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.82 -44.38 96.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.113 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.22 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.926 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -57.8 -45.72 85.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.29 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.16 -43.77 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.174 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.23 -43.11 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.193 0.52 . . . . 0.0 109.983 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.578 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.0 mt -60.53 -42.51 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.438 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 75.1 m -58.21 -45.73 87.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 0.0 110.031 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.82 -43.38 96.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.468 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.558 HD13 ' OE1' ' B' ' 93' ' ' GLU . 72.0 mt -59.03 -43.91 91.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.279 0.561 . . . . 0.0 109.498 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.01 -42.68 93.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.526 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.78 -40.34 92.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.45 -42.62 99.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.881 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.606 ' NE2' ' NZ ' ' C' ' 30' ' ' LYS . 67.4 m80 -59.71 -40.31 87.54 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.746 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.525 ' O ' ' O ' ' C' ' 102' ' ' LYS . 84.1 tt0 -61.63 -40.74 95.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.107 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.8 -38.31 88.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.17 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.84 -43.11 97.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.399 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 102' ' ' LYS . . . . . 0.525 ' O ' ' O ' ' C' ' 99' ' ' GLU . 54.4 mtmt -95.97 142.15 28.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.384 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.526 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 121.869 0.842 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 143.02 36.73 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.32 38.6 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.025 -1.047 . . . . 0.0 109.564 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.4 18.88 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.054 -1.028 . . . . 0.0 108.386 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.92 144.32 19.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.68 136.54 37.07 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 122.155 0.979 . . . . 0.0 110.197 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.89 114.27 24.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.2 p -106.92 -4.23 19.35 Favored 'General case' 0 C--N 1.265 -3.071 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.78 85.69 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 119.675 -1.891 . . . . 0.0 110.636 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -45.54 -47.61 13.06 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 124.734 3.622 . . . . 0.0 114.086 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.405 ' HA ' ' CD2' ' C' ' 52' ' ' HIS . 92.1 m-20 -102.17 27.5 6.62 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 116.127 -2.229 . . . . 0.0 108.77 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.24 -123.95 21.71 Favored Glycine 0 N--CA 1.495 2.605 0 C-N-CA 117.718 -2.182 . . . . 0.0 109.633 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.749 HD11 HD23 ' D' ' 384' ' ' LEU . 3.4 tp -132.08 76.31 1.69 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.924 -1.339 . . . . 0.0 109.521 -176.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -83.7 174.14 10.74 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 117.894 -1.522 . . . . 0.0 112.14 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.1 p -21.99 -69.41 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.571 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 24.5 ttt-85 -44.23 -66.41 0.47 Allowed Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 120.172 -0.611 . . . . 0.0 112.493 -177.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.58 -32.22 58.88 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 C-N-CA 121.675 1.583 . . . . 0.0 111.507 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.493 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.88 -38.89 87.16 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.21 -0.931 . . . . 0.0 109.526 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.433 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.92 -39.74 72.52 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.98 -39.36 93.95 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 117.995 -1.482 . . . . 0.0 109.494 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.35 93.19 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.572 1.177 . . . . 0.0 108.646 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.493 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.2 t -62.65 -42.22 95.21 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.674 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -63.95 -40.25 96.0 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.281 -0.887 . . . . 0.0 109.734 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.76 80.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.43 -0.794 . . . . 0.0 109.586 177.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.94 -44.07 91.3 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.752 -1.217 . . . . 0.0 109.445 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.33 -16.15 43.06 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.52 86.15 Favored Glycine 0 N--CA 1.479 1.545 0 O-C-N 119.94 -1.725 . . . . 0.0 109.342 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.5 143.33 32.87 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.271 -1.723 . . . . 0.0 109.995 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.57 -30.05 59.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.227 -0.921 . . . . 0.0 112.353 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.54 10.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 119.818 -1.801 . . . . 0.0 112.829 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.2 35.31 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 102.832 -3.025 . . . . 0.0 102.832 171.223 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.392 0 O-C-N 121.096 -1.002 . . . . 0.0 109.361 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.3 m -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-O 123.094 1.426 . . . . 0.0 109.9 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.9 t -108.12 129.89 61.58 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.701 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.6 m -127.39 119.58 26.51 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.86 -1.15 . . . . 0.0 108.96 -178.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.0 t -122.59 122.58 39.18 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.591 -0.693 . . . . 0.0 109.898 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.78 38.91 24.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.884 -1.135 . . . . 0.0 112.781 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.07 83.5 Favored Glycine 0 N--CA 1.502 3.088 0 O-C-N 120.001 -1.687 . . . . 0.0 112.557 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.93 136.28 54.58 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.78 158.54 33.09 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-O 123.831 1.777 . . . . 0.0 112.427 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.33 31.27 Favored 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 112.436 -2.165 . . . . 0.0 108.576 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.56 135.97 48.91 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.74 47.52 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.68 -1.262 . . . . 0.0 110.763 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.47 12.96 31.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.677 -1.264 . . . . 0.0 109.458 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.5 m -133.0 104.16 6.4 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 122.098 0.952 . . . . 0.0 110.197 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.6 tp -57.24 -37.99 73.12 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.918 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -58.86 -51.4 70.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.628 -1.295 . . . . 0.0 113.074 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -69.99 -32.48 70.7 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 119.542 -1.974 . . . . 0.0 109.186 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.76 -33.69 75.69 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.975 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.505 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.71 -10.44 52.45 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.618 -0.676 . . . . 0.0 109.885 -177.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.0 p -89.8 -7.69 53.82 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.935 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 353' ' ' LEU . . . . . 0.501 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 96.6 mt -93.38 159.27 15.33 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.213 -0.929 . . . . 0.0 110.128 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.91 2.97 Favored Glycine 0 N--CA 1.485 1.943 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.61 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 120.74 -1.447 . . . . 0.0 107.432 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.887 HG22 HG21 ' C' ' 56' ' ' THR . 3.6 p -81.48 172.63 13.28 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.272 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -60.73 140.92 57.37 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.867 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.2 78.93 Favored Glycine 0 N--CA 1.5 2.963 0 C-N-CA 120.02 -1.086 . . . . 0.0 111.375 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.47 135.91 34.05 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.941 -1.329 . . . . 0.0 110.648 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 91.0 t -96.56 123.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.485 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.1 160.05 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 119.997 -1.689 . . . . 0.0 110.67 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.5 m -108.83 128.38 54.84 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.516 -1.365 . . . . 0.0 107.594 175.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.87 121.45 60.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.33 50.72 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 -179.599 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.81 153.42 47.09 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.765 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.79 6.42 Favored 'General case' 0 C--N 1.288 -2.094 0 C-N-CA 118.509 -1.276 . . . . 0.0 107.997 178.229 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.3 40.16 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 117.979 -2.058 . . . . 0.0 110.365 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.58 82.6 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.428 -0.886 . . . . 0.0 112.248 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.65 3.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 118.968 -2.333 . . . . 0.0 108.603 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.25 -33.67 65.64 Favored 'General case' 0 N--CA 1.521 3.124 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.465 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.53 27.75 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.544 -1.972 . . . . 0.0 111.02 -176.562 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.781 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.77 97.83 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.5 77.62 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 117.442 -1.703 . . . . 0.0 110.025 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.78 -42.26 89.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-O 122.231 1.015 . . . . 0.0 109.291 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.86 76.58 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-O 122.107 0.956 . . . . 0.0 108.789 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.781 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.82 -38.33 76.53 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.651 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' D' ' 377' ' ' LEU . 79.8 mt -75.63 -28.61 58.87 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.369 -1.457 . . . . 0.0 110.85 -174.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.47 70.94 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.436 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.9 -49.24 63.07 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.26 -45.27 84.15 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.042 -1.063 . . . . 0.0 110.523 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.485 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.28 -37.38 85.31 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.895 -1.128 . . . . 0.0 111.609 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.79 61.58 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.17 -0.956 . . . . 0.0 110.215 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -78.87 -32.33 45.91 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.517 -0.739 . . . . 0.0 111.304 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.749 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.06 125.47 12.24 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 124.313 2.006 . . . . 0.0 112.877 178.718 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.2 tt0 . . . . . 0 C--N 1.277 -2.548 0 CA-C-N 111.134 -2.757 . . . . 0.0 110.126 -177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.7 mt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.496 0.189 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.83 -46.91 79.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.946 0.403 . . . . 1.9399999999999999 110.284 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -67.22 -36.41 81.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.217 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 58' ' ' LEU . 85.2 t -63.78 -42.18 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.363 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 4' ' ' LEU . 69.9 t -60.29 -44.87 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.93 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -58.91 -40.85 85.76 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.564 -0.532 . . . . 0.17999999999999999 109.564 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.27 97.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.83 -42.76 99.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.174 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.1 -43.85 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.20000000000000001 109.784 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.444 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.2 mt -64.02 -44.08 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.553 . . . . 0.01 109.984 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.22 -45.98 92.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.813 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.5 p -60.64 -43.36 97.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.003 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -42.71 98.92 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.42 ' OE1' ' NH2' ' D' ' 317' ' ' ARG . 28.1 mm100 -63.4 -42.52 98.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.551 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.47 -48.98 78.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.883 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.48 -46.39 90.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.0 m -54.69 -43.96 72.97 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.19 -42.0 99.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.689 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -60.13 -49.82 76.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.365 0.603 . . . . 0.0 109.388 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.78 -42.79 94.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.557 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.0 93.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.72 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.67 -42.62 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.652 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.62 -45.58 93.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.485 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.96 -41.88 75.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.01 -41.5 98.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.857 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.86 93.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.701 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.63 -28.82 69.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.14 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -80.4 -4.58 54.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.462 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.97 14.61 69.18 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.35 79.23 2.51 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -64.51 -34.73 78.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.676 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.33 83.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.063 0.459 . . . . 0.0 110.742 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.9 79.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.322 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.36 83.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.605 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.35 -42.61 99.54 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.591 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.1 98.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.801 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.36 -42.02 93.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.486 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.543 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.6 mtm -64.01 -40.76 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.633 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.65 -44.97 94.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.84 -41.13 97.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.212 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -61.11 -45.69 93.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.732 ' HE ' HH12 ' A' ' 88' ' ' ARG . 41.2 ttm180 -60.99 -42.23 98.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.323 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.3 -42.24 99.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.158 0.504 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.58 99.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.157 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.551 HD21 ' CB ' ' A' ' 18' ' ' ALA . 91.2 mt -66.06 -39.21 89.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.736 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.41 -42.89 96.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.307 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.6 -39.89 92.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.226 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.51 80.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -62.2 -37.84 86.86 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.061 -0.518 . . . . 0.089999999999999997 110.439 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.02 -43.97 98.1 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.33 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.43 -42.87 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.013 0.435 . . . . 0.0 110.05 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.473 HE22 ' CG1' ' A' ' 59' ' ' ILE . 9.3 tm0? -60.65 -44.27 96.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.239 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -56.7 -42.64 79.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.059999999999999998 110.037 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.76 -38.61 88.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.425 . . . . 0.0 110.58 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.409 HD11 HG11 ' A' ' 7' ' ' VAL . 97.1 mt -63.94 -29.15 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.685 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.473 ' CG1' HE22 ' A' ' 55' ' ' GLN . 95.9 mt -88.47 -32.13 5.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.050000000000000003 110.812 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 75' ' ' VAL . 5.7 p . . . . . 0 C--O 1.227 -0.126 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 72' ' ' LEU . 31.3 mt -58.05 -44.54 87.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.619 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.613 HG13 HG21 ' A' ' 8' ' ' VAL . 71.3 t -65.83 -47.02 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.904 0.383 . . . . 0.0 110.595 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.5 -43.18 94.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.206 -0.452 . . . . 0.11 110.884 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 71' ' ' SER . 54.0 t -60.94 -47.84 91.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.753 -0.658 . . . . 0.38 110.218 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.42 -46.14 89.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.778 0.323 . . . . 0.0 110.317 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.77 90.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.466 -0.333 . . . . 0.059999999999999998 110.607 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -61.59 -38.43 87.52 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0900000000000001 110.159 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.555 ' O ' HG23 ' A' ' 83' ' ' THR . 33.2 tp -56.78 -47.59 79.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.403 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -68.09 -47.54 67.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.277 -0.419 . . . . 0.080000000000000002 110.703 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.18 -47.09 87.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.865 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.76 -42.89 99.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.217 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 79' ' ' LEU . 19.2 p -63.5 -45.56 90.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.068 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.98 -47.45 84.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.387 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.55 -46.92 83.33 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.545 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.99 -44.38 96.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.077 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.07 80.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.871 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.732 HH12 ' HE ' ' A' ' 45' ' ' ARG . 71.4 ttp85 -58.4 -44.78 89.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.186 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.427 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.5 mt-10 -61.53 -43.48 98.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.115 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.6 mt -64.47 -43.45 94.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.177 0.513 . . . . 0.0 109.767 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.532 HD12 ' HB1' ' A' ' 22' ' ' ALA . 81.1 mt -60.93 -42.49 92.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.224 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 m -58.03 -46.26 85.61 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.517 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.7 mt-10 -63.2 -43.31 98.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.607 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 23.1 mt -59.06 -43.25 91.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.324 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.543 HD12 ' SD ' ' A' ' 41' ' ' MET . 85.9 mt -61.03 -42.87 94.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.537 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -61.38 -39.86 92.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.582 HD21 ' NE2' ' B' ' 98' ' ' HIS . 39.2 mt -62.42 -42.22 99.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.835 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -60.88 -39.8 90.62 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.01 -38.25 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.184 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -63.85 -40.71 97.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.218 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.417 179.773 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.657 ' O ' HG23 ' B' ' 8' ' ' VAL . 61.3 mt . . . . . 0 CA--C 1.521 -0.152 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.02 -46.87 79.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 1.9399999999999999 110.393 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -67.22 -36.15 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.23 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.408 HG11 HD11 ' B' ' 58' ' ' LEU . 82.4 t -64.06 -42.22 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.277 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 4' ' ' LEU . 70.7 t -60.35 -44.61 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.866 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.25 -40.89 87.39 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.522 -0.548 . . . . 0.17999999999999999 109.522 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.49 -42.27 97.59 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.86 -42.67 99.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.354 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.24 -44.03 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.933 -0.576 . . . . 0.28999999999999998 109.711 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -44.49 98.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.916 -0.583 . . . . 0.02 109.98 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.83 -46.3 91.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.844 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -60.11 -43.53 95.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.159 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.13 99.09 Favored Glycine 0 C--N 1.332 0.352 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.2 -42.38 99.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.552 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.66 -48.65 80.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.866 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.63 -46.49 90.08 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 69.6 m -54.69 -43.64 72.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.37 -42.45 98.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.733 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.8 -49.85 76.12 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.427 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.0 m-85 -59.77 -42.72 93.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.596 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.63 93.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.62 91.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.617 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.42 -45.92 92.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.347 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -55.63 -42.33 74.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -61.63 -41.55 97.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.813 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.88 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.719 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.88 -28.48 69.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.068 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -80.58 -4.95 55.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.432 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.27 14.34 69.05 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.06 79.37 2.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.765 0.316 . . . . 0.0 110.289 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -64.83 -34.73 79.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.61 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.58 82.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.04 0.448 . . . . 0.0 110.781 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.19 80.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.366 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.37 83.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.608 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.02 -43.0 99.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 110.633 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.23 98.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.644 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.3 -42.23 93.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.531 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.6 mtm -63.69 -40.62 97.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.558 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.85 -44.96 94.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.496 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.89 -40.8 97.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.243 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 41.8 t -61.56 -45.45 94.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.736 ' HE ' HH12 ' B' ' 88' ' ' ARG . 41.3 ttm180 -61.38 -42.26 98.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.261 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.74 -42.81 99.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 110.643 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.58 99.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.135 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.552 HD21 ' CB ' ' B' ' 18' ' ' ALA . 91.6 mt -66.28 -39.22 89.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.749 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.39 -42.45 95.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.331 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.99 -40.16 90.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.16 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.74 -44.68 80.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.422 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.26 -37.75 86.66 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.089999999999999997 110.294 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.02 -44.0 98.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 68.1 t -66.5 -42.76 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.043 0.449 . . . . 0.0 110.049 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.48 HE22 ' CG1' ' B' ' 59' ' ' ILE . 9.2 tm0? -60.66 -44.26 96.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.242 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -56.82 -42.66 79.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.059999999999999998 110.018 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.71 -38.52 88.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 0.0 110.54 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.408 HD11 HG11 ' B' ' 7' ' ' VAL . 97.2 mt -64.02 -28.94 70.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.733 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.48 ' CG1' HE22 ' B' ' 55' ' ' GLN . 96.1 mt -88.78 -32.29 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.040000000000000001 110.779 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.49 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.492 ' O ' HG23 ' B' ' 75' ' ' VAL . 10.0 p . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 121.023 0.44 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 72' ' ' LEU . 34.8 mt -60.04 -44.7 94.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.633 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.605 HG13 HG21 ' B' ' 8' ' ' VAL . 67.6 t -64.39 -46.89 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.625 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.4 -43.05 95.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.126 0.489 . . . . 0.11 111.013 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 71' ' ' SER . 53.0 t -60.89 -47.68 92.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.781 -0.645 . . . . 0.38 110.309 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.441 ' O ' ' HD2' ' B' ' 80' ' ' HIS . 37.1 t-80 -59.46 -46.36 88.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.828 -0.349 . . . . 1.1100000000000001 110.346 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.91 90.13 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.928 0.394 . . . . 0.059999999999999998 110.448 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -61.25 -38.7 87.62 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.146 -0.479 . . . . 1.0900000000000001 110.194 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.564 ' O ' HG23 ' B' ' 83' ' ' THR . 33.5 tp -56.97 -47.31 81.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.403 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.441 ' HD2' ' O ' ' B' ' 76' ' ' HIS . 32.7 m-70 -68.13 -47.45 68.08 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.821 -0.352 . . . . 0.080000000000000002 110.705 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.36 -47.0 87.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.856 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.66 -43.04 99.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.246 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 79' ' ' LEU . 19.6 p -63.39 -45.33 91.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.192 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -62.1 -47.28 85.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.86 -46.86 84.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.482 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.67 -44.8 96.27 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.44 79.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.935 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.736 HH12 ' HE ' ' B' ' 45' ' ' ARG . 71.9 ttp85 -57.83 -45.01 86.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.252 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.408 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -61.53 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.176 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.42 -43.16 95.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 110.01 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.526 HD12 ' HB1' ' B' ' 22' ' ' ALA . 82.2 mt -61.12 -42.52 93.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.237 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 71.2 m -58.02 -46.12 85.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.041 0.448 . . . . 0.0 109.828 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.505 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.9 mt-10 -63.43 -42.91 98.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.45 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.553 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 23.4 mt -59.5 -43.26 93.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.531 HD12 ' SD ' ' B' ' 41' ' ' MET . 85.3 mt -60.95 -43.04 95.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.55 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -61.07 -40.13 92.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.733 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.589 HD21 ' NE2' ' C' ' 98' ' ' HIS . 37.6 mt -62.35 -42.02 99.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.803 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.582 ' NE2' HD21 ' A' ' 97' ' ' LEU . 67.7 m80 -61.0 -40.07 92.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -63.65 -38.78 92.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.094 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.48 -40.71 97.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.197 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.344 179.753 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.666 ' O ' HG23 ' C' ' 8' ' ' VAL . 61.5 mt . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.592 0.234 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.83 -46.71 80.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.836 0.35 . . . . 1.9399999999999999 110.443 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.41 -36.45 81.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.305 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.58 -42.03 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.666 HG23 ' O ' ' C' ' 4' ' ' LEU . 73.4 t -60.7 -44.42 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.001 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.34 -41.4 89.1 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.601 -0.518 . . . . 0.17999999999999999 109.601 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.92 -42.33 98.38 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.71 -42.77 99.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.394 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.4 -43.6 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.29999999999999999 109.713 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.87 -44.09 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.066 -0.515 . . . . 0.02 110.031 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.32 -45.91 92.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.765 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -60.5 -43.63 96.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.232 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.34 98.84 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -62.73 -43.12 99.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.559 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.7 -49.65 75.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.99 -46.66 88.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.0 m -54.3 -44.58 72.08 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.49 -42.49 99.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.754 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.531 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.7 -50.18 74.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.408 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.41 -43.13 93.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.561 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.67 92.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.668 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.37 90.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.564 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.73 -45.77 92.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.464 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -55.95 -41.74 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.31 -40.93 97.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.874 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.6 94.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.822 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.15 -28.57 69.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.062 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -80.48 -4.92 55.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.417 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.34 14.53 68.48 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -98.48 79.24 2.48 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.6 -34.89 79.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.579 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.12 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.713 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.1 79.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -47.23 83.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.488 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.07 -43.23 99.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.611 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.16 99.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.768 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.38 -41.98 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.542 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.528 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.2 mtm -63.91 -40.95 97.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.644 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.56 -44.98 94.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.77 -40.82 97.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.279 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -61.64 -45.44 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.562 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.714 ' HE ' HH12 ' C' ' 88' ' ' ARG . 41.6 ttm180 -61.15 -42.24 98.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.96 0.409 . . . . 0.0 110.351 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.89 -42.85 99.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.349 0.595 . . . . 0.0 110.531 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.4 99.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.379 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.559 HD21 ' CB ' ' C' ' 18' ' ' ALA . 92.3 mt -66.48 -39.29 88.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.752 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.37 -42.83 96.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.396 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.68 -40.18 92.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.038 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.17 80.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.474 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.558 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.6 t-80 -61.71 -38.04 86.38 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.932 -0.576 . . . . 0.089999999999999997 110.328 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 53' ' ' LEU . 37.1 mt -60.88 -44.16 97.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.29 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.15 -42.86 92.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.044 0.449 . . . . 0.0 109.997 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.481 HE22 ' CG1' ' C' ' 59' ' ' ILE . 9.2 tm0? -60.88 -44.25 97.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.225 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.747 HG21 HG22 ' D' ' 356' ' ' THR . 19.0 m -56.71 -42.46 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.059999999999999998 110.173 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.99 -38.55 88.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.496 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.75 -29.25 70.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.794 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.481 ' CG1' HE22 ' C' ' 55' ' ' GLN . 95.9 mt -88.4 -32.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.059999999999999998 110.861 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.546 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.3 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' C' ' 72' ' ' LEU . 19.2 mt . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 120.621 0.248 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' C' ' 8' ' ' VAL . 65.4 t -65.89 -47.33 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 130.13 3.372 . . . . 0.0 110.633 -178.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.63 -42.96 85.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.067 0.46 . . . . 0.11 110.973 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.96 -47.97 91.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.771 -0.65 . . . . 0.40000000000000002 110.23 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.421 ' O ' ' HD2' ' C' ' 80' ' ' HIS . 38.3 t-80 -59.73 -46.61 88.59 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.894 -0.322 . . . . 1.02 110.264 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.9 -45.68 91.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.851 0.357 . . . . 0.059999999999999998 110.374 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 78' ' ' GLN . . . . . 0.404 ' NE2' HD11 ' C' ' 59' ' ' ILE . 84.0 mt-30 -61.35 -38.59 87.5 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.26 -0.427 . . . . 1.0900000000000001 110.276 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.562 ' O ' HG23 ' C' ' 83' ' ' THR . 33.5 tp -56.87 -47.59 80.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.472 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.421 ' HD2' ' O ' ' C' ' 76' ' ' HIS . 33.2 m-70 -67.93 -47.66 68.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 0.080000000000000002 110.749 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.1 -47.16 87.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.822 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.43 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.38 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.562 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -63.24 -45.11 93.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.195 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.13 -47.56 84.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.4 -47.27 82.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.436 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.49 -44.86 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.188 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.25 79.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.869 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.714 HH12 ' HE ' ' C' ' 45' ' ' ARG . 71.5 ttp85 -58.17 -44.84 88.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.219 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.139 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.46 -43.36 94.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 109.97 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.531 HD12 ' HB1' ' C' ' 22' ' ' ALA . 82.3 mt -60.85 -42.69 93.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.4 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.7 m -57.88 -46.07 85.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.442 . . . . 0.0 109.986 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.39 -43.24 98.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.473 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.555 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 22.8 mt -59.09 -43.28 91.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.528 HD12 ' SD ' ' C' ' 41' ' ' MET . 84.7 mt -61.05 -43.07 95.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.631 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.78 -40.3 92.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.148 0.499 . . . . 0.0 109.829 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' C' ' 97' ' ' LEU . 38.4 mt -62.05 -42.33 99.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.885 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.589 ' NE2' HD21 ' B' ' 97' ' ' LEU . 67.8 m80 -60.77 -39.99 90.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.588 ' O ' ' N ' ' C' ' 103' ' ' ALA . 81.4 tt0 -63.67 -39.0 93.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.062 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.21 -40.56 97.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.249 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.01 -41.98 97.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.296 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -93.25 -6.23 48.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.438 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 103' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.446 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.905 0.86 . . . . 0.0 108.881 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.08 36.66 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.31 38.51 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.0 -1.063 . . . . 0.0 109.556 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.13 149.21 28.53 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.28 152.31 19.0 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.025 -1.047 . . . . 0.0 108.364 178.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.76 144.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.72 136.57 37.07 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 122.162 0.982 . . . . 0.0 110.131 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.86 114.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.87 -4.34 19.31 Favored 'General case' 0 C--N 1.265 -3.067 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.42 141.87 86.08 Favored Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 119.612 -1.93 . . . . 0.0 110.612 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.59 -47.6 13.19 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 124.7 3.6 . . . . 0.0 114.184 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.558 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.0 m-20 -102.17 27.49 6.63 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 116.125 -2.23 . . . . 0.0 108.799 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.11 -127.5 27.34 Favored Glycine 0 N--CA 1.497 2.715 0 C-N-CA 117.698 -2.192 . . . . 0.0 109.538 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.556 HD21 HD23 ' D' ' 384' ' ' LEU . 0.8 OUTLIER -130.04 78.06 1.82 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.861 -1.376 . . . . 0.0 109.482 -177.486 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -84.56 176.38 8.65 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 117.891 -1.524 . . . . 0.0 112.108 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 13.6 p -21.65 -69.58 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.448 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.5 ttt-85 -45.01 -66.16 0.53 Allowed Pre-proline 0 N--CA 1.493 1.709 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.499 -177.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -64.85 -32.16 56.04 Favored 'Trans proline' 0 N--CA 1.485 0.985 0 C-N-CA 121.904 1.736 . . . . 0.0 111.434 176.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.483 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.84 86.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.209 -0.932 . . . . 0.0 109.505 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.95 -39.75 72.41 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -63.91 -39.4 94.08 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 117.965 -1.494 . . . . 0.0 109.493 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.435 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.72 -45.23 93.71 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 122.575 1.178 . . . . 0.0 108.748 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.483 HG23 ' O ' ' D' ' 319' ' ' ALA . 54.5 t -62.72 -42.21 95.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.623 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -63.9 -40.26 96.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.226 -0.921 . . . . 0.0 109.763 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.73 -39.7 80.23 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.381 -0.824 . . . . 0.0 109.617 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.95 91.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.551 -1.343 . . . . 0.0 109.422 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.41 -16.19 44.17 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 121.315 -0.866 . . . . 0.0 113.323 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.88 -10.55 86.08 Favored Glycine 0 N--CA 1.478 1.499 0 O-C-N 119.955 -1.715 . . . . 0.0 109.339 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.49 143.29 32.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.231 -1.746 . . . . 0.0 110.03 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.4 p -75.57 -30.05 59.53 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.229 -0.919 . . . . 0.0 112.325 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.75 158.61 10.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 119.806 -1.809 . . . . 0.0 112.826 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.28 35.36 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 102.807 -3.034 . . . . 0.0 102.807 171.291 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.71 136.52 60.58 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.415 0 O-C-N 121.112 -0.993 . . . . 0.0 109.278 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.93 143.19 50.99 Favored 'General case' 0 C--N 1.284 -2.248 0 CA-C-O 123.091 1.424 . . . . 0.0 109.978 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.0 t -108.04 129.93 61.39 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.744 0 N-CA-C 105.551 -2.018 . . . . 0.0 105.551 173.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.1 m -127.45 119.59 26.46 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.859 -1.151 . . . . 0.0 108.895 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.58 122.6 39.25 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.906 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.5 t30 51.85 38.85 24.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.868 -1.145 . . . . 0.0 112.767 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.02 83.53 Favored Glycine 0 N--CA 1.502 3.056 0 O-C-N 119.972 -1.705 . . . . 0.0 112.588 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.89 136.29 54.56 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.79 158.47 33.27 Favored 'General case' 0 C--N 1.275 -2.646 0 CA-C-O 123.809 1.766 . . . . 0.0 112.467 -176.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.58 151.4 31.5 Favored 'General case' 0 C--N 1.279 -2.493 0 CA-C-N 112.472 -2.149 . . . . 0.0 108.585 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.56 135.88 48.85 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.77 47.44 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.692 -1.255 . . . . 0.0 110.73 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.93 31.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.612 -1.305 . . . . 0.0 109.39 -177.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.8 t -133.1 104.11 6.35 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 122.215 1.007 . . . . 0.0 110.174 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.1 tp -57.17 -37.92 72.82 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.968 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -59.03 -51.28 70.74 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.61 -1.306 . . . . 0.0 113.021 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.04 -32.47 70.62 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 119.527 -1.983 . . . . 0.0 109.223 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.7 -33.78 75.8 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.932 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.546 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.7 -10.41 52.19 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.731 -0.606 . . . . 0.0 109.953 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.3 p -89.76 -7.79 53.66 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.965 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 353' ' ' LEU . . . . . 0.46 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 94.9 mt -93.3 159.27 15.34 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 110.16 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.79 2.96 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 106.889 -2.485 . . . . 0.0 106.889 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.55 47.43 1.71 Allowed 'General case' 0 C--N 1.308 -1.222 0 O-C-N 120.745 -1.444 . . . . 0.0 107.467 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.747 HG22 HG21 ' C' ' 56' ' ' THR . 3.8 p -81.45 172.51 13.43 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.864 -1.134 . . . . 0.0 109.232 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.7 140.92 57.33 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.384 -0.926 . . . . 0.0 109.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.2 78.87 Favored Glycine 0 N--CA 1.5 2.91 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.35 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.41 135.89 34.09 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.919 -1.342 . . . . 0.0 110.641 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.48 123.69 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.484 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.11 160.03 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 C-N-CA 117.474 -1.69 . . . . 0.0 110.702 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.91 128.42 54.91 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 120.519 -1.363 . . . . 0.0 107.571 175.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.94 121.46 60.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 176.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.26 50.72 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -179.555 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.43 47.11 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 118.498 -1.281 . . . . 0.0 109.728 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.73 6.4 Favored 'General case' 0 C--N 1.288 -2.101 0 C-N-CA 118.585 -1.246 . . . . 0.0 108.045 178.241 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.3 40.16 Favored Glycine 0 C--N 1.296 -1.664 0 C-N-CA 118.019 -2.039 . . . . 0.0 110.377 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.59 82.48 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.28 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.07 36.84 3.52 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 115.844 -2.342 . . . . 0.0 108.583 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.44 -33.51 65.93 Favored 'General case' 0 N--CA 1.521 3.095 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -174.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.457 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.66 27.52 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.575 -1.953 . . . . 0.0 110.996 -176.603 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.78 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.5 -40.73 97.84 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.49 77.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 117.475 -1.69 . . . . 0.0 110.018 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.83 -42.19 88.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-O 122.192 0.996 . . . . 0.0 109.323 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.87 -47.87 76.57 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.05 0.929 . . . . 0.0 108.755 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.78 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.81 -38.35 76.57 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.686 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.435 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.4 mt -75.54 -28.69 59.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.385 -1.447 . . . . 0.0 110.853 -174.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.54 -39.4 70.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.414 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.25 62.98 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.33 -45.16 84.57 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.956 -1.098 . . . . 0.0 110.548 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.484 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.42 85.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.864 -1.147 . . . . 0.0 111.526 -177.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.84 61.67 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.113 -0.992 . . . . 0.0 110.224 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 -32.33 46.18 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.544 -0.723 . . . . 0.0 111.377 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.556 HD23 HD21 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.02 125.42 12.07 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 124.32 2.01 . . . . 0.0 112.921 178.634 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.278 -2.543 0 CA-C-N 111.124 -2.762 . . . . 0.0 110.186 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.0 mt . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.26 -47.26 80.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.927 0.394 . . . . 1.9399999999999999 110.266 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -67.44 -34.84 78.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.19 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.479 HG11 HD11 ' A' ' 58' ' ' LEU . 70.6 t -64.17 -42.71 96.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.359 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 4' ' ' LEU . 91.9 t -60.38 -44.43 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.018 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.1 mtp -59.22 -41.85 89.64 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.532 -0.544 . . . . 0.17999999999999999 109.532 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.02 -42.41 98.21 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 11' ' ' LEU . 35.8 mt -63.56 -42.15 98.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.172 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -44.94 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.20000000000000001 109.811 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.86 -44.45 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.01 109.954 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.56 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.5 t-20 -60.5 -46.36 90.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.851 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.4 m -59.59 -43.81 93.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.967 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.537 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.38 -42.2 99.18 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.01 -42.41 99.82 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.67 -49.13 78.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.883 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -60.2 -45.98 91.3 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -55.1 -44.79 75.23 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.84 -42.57 99.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.728 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.561 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.68 -50.92 72.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.4 -42.48 91.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.578 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.58 90.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.715 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.48 86.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.662 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.28 -44.88 96.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.463 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.31 -42.68 74.02 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.0 -41.79 92.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.756 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.58 91.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.644 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.29 -30.04 70.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.171 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -80.11 -3.51 49.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.46 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.95 12.22 81.48 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -94.89 81.95 3.81 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.754 0.311 . . . . 0.0 110.306 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -64.65 -34.62 78.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.665 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.77 86.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.025 0.441 . . . . 0.0 110.739 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.77 81.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.301 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.05 -47.99 80.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.559 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.51 -43.06 99.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.612 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.44 98.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mmm -66.28 -42.06 88.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.585 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.1 mtm -63.87 -41.55 97.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.611 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.86 -46.32 89.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.02 0.438 . . . . 0.0 110.499 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.43 -40.87 98.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.126 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 41' ' ' MET . 79.4 p -61.28 -46.15 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.508 ' CZ ' ' NH1' ' A' ' 88' ' ' ARG . 62.9 ttm-85 -60.36 -42.61 96.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.296 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.2 mmm -61.48 -42.79 99.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.194 0.521 . . . . 0.0 110.56 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.73 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' A' ' 18' ' ' ALA . 87.6 mt -65.18 -39.83 93.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.09 -42.02 97.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.318 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.58 -39.75 91.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.216 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.12 -44.04 80.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.401 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.16 -37.86 88.91 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.046 -0.525 . . . . 0.089999999999999997 110.38 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.9 mt -61.37 -43.76 98.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.29 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.47 -43.31 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.718 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.37 -42.77 96.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -58.61 -41.74 86.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.059999999999999998 110.062 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.2 -38.81 92.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.943 0.402 . . . . 0.0 110.544 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 7' ' ' VAL . 96.8 mt -64.97 -26.98 68.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.634 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.523 HD11 ' OE1' ' A' ' 55' ' ' GLN . 96.7 mt -83.66 -30.36 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.072 -0.513 . . . . 0.050000000000000003 110.882 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.458 179.658 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.2 p . . . . . 0 C--O 1.227 -0.118 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.17 -48.8 75.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.616 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 8' ' ' VAL . 54.5 t -62.85 -45.23 99.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.852 0.358 . . . . 0.0 110.521 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.718 ' CD2' HE22 ' A' ' 55' ' ' GLN . 77.8 mt -62.23 -40.52 96.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.077 0.465 . . . . 0.11 110.897 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 71' ' ' SER . 54.5 t -60.68 -48.35 89.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.747 -0.661 . . . . 0.38 110.149 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -59.69 -46.49 88.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.777 0.322 . . . . 0.0 110.34 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.65 99.51 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.759 0.314 . . . . 0.059999999999999998 110.635 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.4 ' OE1' HD23 ' B' ' 79' ' ' LEU . 52.3 tt0 -62.75 -39.2 93.41 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0900000000000001 110.199 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 83' ' ' THR . 38.0 tp -56.89 -46.26 82.03 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.372 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -67.16 -47.23 71.64 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.678 -0.409 . . . . 0.080000000000000002 110.725 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.27 -44.98 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.841 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -62.03 -43.17 99.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.214 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.1 p -64.59 -46.47 82.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.1 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -62.58 -49.04 76.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.1 ttp -57.95 -48.04 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.552 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.99 -45.26 94.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.117 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -47.76 84.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.843 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.508 ' NH1' ' CZ ' ' A' ' 45' ' ' ARG . 9.0 tmm_? -58.23 -45.96 86.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.065 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.503 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.8 mt-10 -61.4 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.122 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.38 -42.53 96.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.14 0.495 . . . . 0.0 109.84 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.561 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.3 mt -60.85 -42.46 92.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.292 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.8 m -57.99 -46.18 85.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.012 0.434 . . . . 0.0 109.914 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.575 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.0 mt-10 -63.37 -43.22 98.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.563 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 18.1 mt -59.25 -43.05 92.46 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.585 HD12 ' SD ' ' A' ' 41' ' ' MET . 88.8 mt -61.3 -42.46 93.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.559 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -62.54 -39.29 93.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.14 -41.63 98.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.83 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.5 m80 -60.82 -38.99 87.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.18 -39.12 91.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.193 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.31 -38.66 90.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.198 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.426 179.742 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.642 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.7 mt . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.591 0.234 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -64.45 -47.33 79.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.967 0.413 . . . . 1.9399999999999999 110.335 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -67.06 -34.95 78.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.189 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.485 HG11 HD11 ' B' ' 58' ' ' LEU . 70.1 t -64.32 -42.58 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.38 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 4' ' ' LEU . 90.7 t -60.64 -44.43 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.88 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.3 mtp -59.14 -41.56 88.59 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.561 -0.533 . . . . 0.17999999999999999 109.561 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.59 97.61 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 11' ' ' LEU . 37.0 mt -63.35 -42.16 98.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.813 0.34 . . . . 0.0 110.347 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.486 HG12 ' HD1' ' B' ' 80' ' ' HIS . 95.9 mt -63.17 -44.98 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.933 -0.576 . . . . 0.28999999999999998 109.751 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.8 -44.43 98.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.993 -0.548 . . . . 0.02 109.884 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.553 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 50.9 t-20 -60.61 -46.19 91.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.763 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 51.2 m -59.62 -43.82 93.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.124 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.52 -41.82 99.11 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.2 -42.38 99.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.83 -49.21 78.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.88 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -60.04 -45.8 91.61 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -55.44 -44.72 76.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.72 -42.53 99.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.709 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.566 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.17 -50.55 73.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.503 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.66 -42.11 92.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.685 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.76 91.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.661 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.68 86.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.628 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.31 -44.91 96.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.302 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.33 -42.7 74.12 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -60.21 -41.36 92.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.868 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.68 92.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.703 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.13 -30.24 70.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.01 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -80.08 -3.32 48.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.8 12.11 81.86 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -94.77 82.07 3.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.844 0.354 . . . . 0.0 110.339 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -64.76 -34.91 79.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.594 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.21 -46.66 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.032 0.444 . . . . 0.0 110.78 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.51 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.45 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.05 79.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.494 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.41 -43.33 99.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.559 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.19 -42.52 99.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mmm -66.31 -42.11 88.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.579 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.9 mtm -63.72 -41.58 98.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.59 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -61.99 -46.29 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.13 -41.02 99.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.341 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' B' ' 41' ' ' MET . 79.0 p -61.16 -46.09 91.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.471 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.526 ' CZ ' ' NH1' ' B' ' 88' ' ' ARG . 62.8 ttm-85 -60.72 -42.15 96.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.279 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.66 -42.85 99.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.244 0.545 . . . . 0.0 110.612 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.38 99.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.175 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' B' ' 18' ' ' ALA . 87.1 mt -65.61 -39.53 91.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.751 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.34 -41.84 97.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.364 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.9 -39.43 90.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.169 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.553 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.18 -44.17 80.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.441 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.23 -37.9 89.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.089999999999999997 110.381 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.33 -43.65 98.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.48 -43.25 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.076 0.465 . . . . 0.0 110.019 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.709 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.49 -42.54 96.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -58.87 -41.89 88.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.059999999999999998 109.961 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -39.12 93.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.404 . . . . 0.0 110.554 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.485 HD11 HG11 ' B' ' 7' ' ' VAL . 96.9 mt -64.72 -27.11 68.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.711 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.537 HD11 ' OE1' ' B' ' 55' ' ' GLN . 96.7 mt -83.42 -30.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.067 -0.515 . . . . 0.040000000000000001 110.805 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.49 179.678 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.611 ' O ' HG23 ' B' ' 75' ' ' VAL . 7.0 p . . . . . 0 N--CA 1.46 0.075 0 CA-C-O 121.061 0.457 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.36 -48.21 82.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.605 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.446 HG13 HG21 ' B' ' 8' ' ' VAL . 55.9 t -62.33 -45.06 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.594 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.709 ' CD2' HE22 ' B' ' 55' ' ' GLN . 76.6 mt -62.12 -40.75 96.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.169 0.509 . . . . 0.11 110.969 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 71' ' ' SER . 53.6 t -60.31 -47.98 90.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.264 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.447 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 61.4 t60 -59.03 -47.25 85.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.886 -0.326 . . . . 1.1100000000000001 110.309 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.62 99.59 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.916 0.389 . . . . 0.059999999999999998 110.461 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' C' ' 76' ' ' HIS . 52.3 tt0 -62.59 -39.24 93.11 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0900000000000001 110.229 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.45 ' O ' HG23 ' B' ' 83' ' ' THR . 38.0 tp -57.03 -45.94 82.74 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.393 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.486 ' HD1' HG12 ' B' ' 12' ' ' ILE . 63.4 m170 -67.54 -46.89 71.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.322 -0.399 . . . . 0.080000000000000002 110.69 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.46 -45.15 95.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.859 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -61.81 -43.48 98.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.248 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -64.3 -46.45 83.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.108 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -62.66 -48.86 77.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -58.19 -47.9 81.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.484 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.94 -45.38 93.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.59 84.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.905 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.526 ' NH1' ' CZ ' ' B' ' 45' ' ' ARG . 8.9 tmm_? -58.52 -45.55 88.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.258 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.447 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.4 mt-10 -61.66 -42.98 99.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.165 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.73 -42.33 95.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.076 0.465 . . . . 0.0 109.966 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.566 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.1 mt -61.08 -42.55 93.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.159 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.0 m -57.87 -46.22 85.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.009 0.433 . . . . 0.0 109.888 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.579 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.7 mt-10 -63.37 -43.14 98.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.506 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.575 HD13 ' OE1' ' A' ' 93' ' ' GLU . 18.5 mt -59.32 -43.09 92.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.579 HD12 ' SD ' ' B' ' 41' ' ' MET . 89.0 mt -61.47 -42.54 94.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.507 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -62.33 -39.25 92.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.17 -41.58 98.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.916 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 68.6 m80 -60.84 -38.97 87.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.754 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.26 -39.31 92.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.108 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.02 -39.12 92.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.177 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.377 179.707 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.657 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.6 mt . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.653 0.263 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -64.46 -47.22 79.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 1.9399999999999999 110.328 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.42 -34.62 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.314 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.471 HG11 HD11 ' C' ' 58' ' ' LEU . 70.5 t -64.54 -42.12 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.429 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.657 HG23 ' O ' ' C' ' 4' ' ' LEU . 91.0 t -61.12 -44.51 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.002 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.2 mtp -58.99 -42.02 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.555 -0.535 . . . . 0.17999999999999999 109.555 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -42.77 98.52 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' C' ' 11' ' ' LEU . 37.1 mt -63.19 -42.3 99.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.911 0.386 . . . . 0.0 110.401 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.494 HG12 ' HD1' ' C' ' 80' ' ' HIS . 96.2 mt -63.0 -44.88 99.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 0.29999999999999999 109.67 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.81 -44.25 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.055 -0.52 . . . . 0.02 109.993 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.542 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.7 t-20 -60.87 -46.3 91.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.813 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 51.7 m -59.45 -43.69 93.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.227 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.04 98.88 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.21 -42.24 99.26 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.492 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.69 -49.32 78.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.764 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -60.08 -46.08 90.75 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -55.13 -44.96 75.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 21' ' ' LEU . 87.5 mt -62.46 -42.72 99.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.69 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.55 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.95 -50.93 72.19 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.447 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.0 m-85 -59.36 -42.52 91.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.52 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.7 90.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.51 85.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.627 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.42 -44.92 96.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.338 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.34 -42.7 74.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.1 -41.51 92.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.878 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.92 91.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.839 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.13 -30.17 70.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.097 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -79.83 -3.76 49.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.428 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.1 12.04 81.54 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -94.56 82.43 3.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.792 0.33 . . . . 0.0 110.293 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -65.27 -34.47 78.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.518 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.38 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.064 0.459 . . . . 0.0 110.753 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.53 80.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.345 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.28 -48.06 79.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.527 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.3 -43.4 98.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.583 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.67 99.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.78 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.8 mmm -66.06 -42.06 89.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.582 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.6 mtm -63.9 -41.65 97.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.646 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.81 -46.4 89.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.476 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.09 -41.11 99.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.286 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.2 p -61.0 -46.2 91.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.476 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.517 ' CZ ' ' NH1' ' C' ' 88' ' ' ARG . 63.0 ttm-85 -60.57 -42.23 96.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.334 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.66 -42.81 99.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.323 0.582 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.39 99.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.362 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.492 HD21 ' CB ' ' C' ' 18' ' ' ALA . 87.4 mt -65.65 -39.44 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.726 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.77 -41.5 97.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.315 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.92 -39.66 90.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.024 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.542 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.2 -44.63 79.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.37 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.44 ' CD2' ' HA ' ' D' ' 312' ' ' ASN . 82.1 t60 -62.58 -37.82 87.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.089999999999999997 110.305 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -61.54 -43.56 98.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.808 0.337 . . . . 0.0 110.328 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.39 -43.44 94.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.996 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.731 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -60.39 -42.81 96.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.226 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 56' ' ' THR . . . . . 1.027 HG21 HG22 ' D' ' 356' ' ' THR . 18.3 m -58.63 -41.92 87.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.059999999999999998 110.159 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.98 -39.03 93.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.522 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.471 HD11 HG11 ' C' ' 7' ' ' VAL . 96.8 mt -64.77 -26.97 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.822 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.549 HD11 ' OE1' ' C' ' 55' ' ' GLN . 96.7 mt -83.51 -30.23 7.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.059999999999999998 110.819 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.539 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.3 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 CA--C 1.518 -0.259 0 CA-C-O 120.643 0.258 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.465 HG13 HG21 ' C' ' 8' ' ' VAL . 54.6 t -63.87 -45.15 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 130.108 3.363 . . . . 0.0 110.627 -178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.731 ' CD2' HE22 ' C' ' 55' ' ' GLN . 78.0 mt -64.29 -40.26 95.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.13 0.491 . . . . 0.11 110.933 177.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.84 -48.43 88.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.788 -0.642 . . . . 0.40000000000000002 110.165 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.435 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 61.9 t60 -59.04 -47.39 85.38 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.926 -0.31 . . . . 1.02 110.362 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.34 99.58 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.841 0.353 . . . . 0.059999999999999998 110.423 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -62.79 -39.21 93.51 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.198 -0.455 . . . . 1.0900000000000001 110.204 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.442 ' O ' HG23 ' C' ' 83' ' ' THR . 36.7 tp -56.86 -46.41 81.79 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.551 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.494 ' HD1' HG12 ' C' ' 12' ' ' ILE . 63.2 m170 -66.98 -47.34 71.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.405 . . . . 0.080000000000000002 110.761 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.07 -45.29 95.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.845 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.68 -43.43 98.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.355 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.442 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.9 p -64.32 -46.62 82.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.241 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.8 t -62.46 -48.56 79.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -58.47 -47.91 82.51 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.503 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.87 -45.08 95.32 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.181 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.87 83.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.869 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.517 ' NH1' ' CZ ' ' C' ' 45' ' ' ARG . 8.9 tmm_? -58.25 -45.7 87.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.238 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.27 -43.52 98.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.197 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.4 -42.45 96.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 109.949 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.55 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.7 mt -60.83 -42.45 92.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.351 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.5 m -58.24 -45.61 87.43 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.586 -0.445 . . . . 0.0 109.966 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.94 -43.0 97.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.508 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.579 HD13 ' OE1' ' B' ' 93' ' ' GLU . 18.7 mt -59.25 -43.06 92.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.582 HD12 ' SD ' ' C' ' 41' ' ' MET . 88.5 mt -61.38 -42.66 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.588 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.2 -39.16 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.31 -41.55 98.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.863 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.7 m80 -60.86 -39.21 88.26 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.8 tt0 -61.97 -39.53 92.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.077 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.87 -39.06 92.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.235 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.53 -41.7 98.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.305 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' C' ' 99' ' ' GLU . 68.5 mttm -92.73 140.22 29.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.557 179.838 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 121.913 0.863 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.8 143.0 36.66 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.01 156.27 38.51 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.073 -1.017 . . . . 0.0 109.576 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.08 149.24 28.6 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.26 152.37 18.93 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.03 -1.044 . . . . 0.0 108.407 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.91 144.37 19.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.3 m -96.66 136.63 36.92 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 122.085 0.945 . . . . 0.0 110.116 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.94 114.32 24.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.9 -4.3 19.31 Favored 'General case' 0 C--N 1.264 -3.115 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.81 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.84 85.88 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 119.718 -1.864 . . . . 0.0 110.593 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.51 -47.64 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 124.652 3.568 . . . . 0.0 114.198 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.44 ' HA ' ' CD2' ' C' ' 52' ' ' HIS . 99.4 m-20 -102.15 27.57 6.55 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 116.061 -2.256 . . . . 0.0 108.763 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.44 -121.42 15.24 Favored Glycine 0 N--CA 1.495 2.607 0 C-N-CA 117.729 -2.176 . . . . 0.0 109.637 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.725 HD11 HD23 ' D' ' 384' ' ' LEU . 3.3 tp -135.06 75.48 1.57 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.995 -1.297 . . . . 0.0 109.517 -176.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -83.47 175.64 9.66 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 117.879 -1.529 . . . . 0.0 112.161 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.7 p -21.8 -71.31 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 -176.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.537 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 14.7 ttt-85 -43.37 -66.63 0.42 Allowed Pre-proline 0 N--CA 1.493 1.676 0 C-N-CA 120.211 -0.596 . . . . 0.0 112.483 -177.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.52 -32.24 59.56 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.394 1.396 . . . . 0.0 111.516 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.528 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.84 86.78 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.227 -0.921 . . . . 0.0 109.473 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.76 72.55 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.96 -39.4 94.06 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 117.993 -1.483 . . . . 0.0 109.48 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.71 -45.24 93.67 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 122.559 1.171 . . . . 0.0 108.726 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.528 HG23 ' O ' ' D' ' 319' ' ' ALA . 71.3 t -62.67 -42.28 95.45 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.25 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.631 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -63.9 -40.25 96.07 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 109.768 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.83 -39.63 79.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.486 -0.759 . . . . 0.0 109.589 177.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.95 92.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.607 -1.308 . . . . 0.0 109.403 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.3 -16.24 43.78 Favored 'General case' 0 N--CA 1.51 2.571 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.53 86.15 Favored Glycine 0 N--CA 1.478 1.462 0 O-C-N 119.881 -1.762 . . . . 0.0 109.284 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 93.0 m-85 -103.55 143.41 32.77 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.251 -1.735 . . . . 0.0 109.963 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.9 p -75.6 -30.08 59.46 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.25 -0.906 . . . . 0.0 112.338 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.64 9.99 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 119.88 -1.762 . . . . 0.0 112.787 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.04 130.31 35.38 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 171.225 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.76 136.62 60.26 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.391 0 CA-C-O 122.252 1.025 . . . . 0.0 109.238 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.94 143.2 51.0 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-O 123.067 1.413 . . . . 0.0 109.969 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.6 t -108.17 129.96 61.55 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.723 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 173.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.4 m -127.46 119.6 26.48 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.776 -1.202 . . . . 0.0 108.953 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.59 122.58 39.18 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.568 -0.708 . . . . 0.0 109.864 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.79 38.89 24.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.828 -1.17 . . . . 0.0 112.754 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.08 83.46 Favored Glycine 0 N--CA 1.502 3.094 0 O-C-N 119.97 -1.706 . . . . 0.0 112.502 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.87 136.24 54.57 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.8 158.49 33.24 Favored 'General case' 0 C--N 1.275 -2.637 0 CA-C-O 123.76 1.743 . . . . 0.0 112.429 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.6 151.4 31.48 Favored 'General case' 0 C--N 1.278 -2.516 0 CA-C-N 112.477 -2.147 . . . . 0.0 108.598 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.59 135.93 48.83 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.99 -6.72 47.32 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.711 -1.243 . . . . 0.0 110.709 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.53 12.99 31.54 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.652 -1.28 . . . . 0.0 109.356 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 90.6 p -133.12 104.16 6.37 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.171 0.986 . . . . 0.0 110.118 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.22 -37.89 72.91 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.011 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -58.91 -51.3 70.61 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.604 -1.31 . . . . 0.0 113.085 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -70.17 -32.37 70.29 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 119.614 -1.929 . . . . 0.0 109.197 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.81 -33.76 75.88 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.923 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.539 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.63 -10.44 52.23 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.698 -0.626 . . . . 0.0 109.963 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 43.0 p -89.82 -7.73 53.67 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 118.061 -1.456 . . . . 0.0 110.885 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.31 159.31 15.32 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.236 -0.915 . . . . 0.0 110.129 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.8 2.96 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 106.873 -2.491 . . . . 0.0 106.873 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.5 47.31 1.73 Allowed 'General case' 0 C--N 1.309 -1.178 0 O-C-N 120.711 -1.464 . . . . 0.0 107.454 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 356' ' ' THR . . . . . 1.027 HG22 HG21 ' C' ' 56' ' ' THR . 2.7 p -81.36 172.51 13.48 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 118.816 -1.153 . . . . 0.0 109.251 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.64 140.84 57.29 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.828 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.24 78.82 Favored Glycine 0 N--CA 1.5 2.935 0 C-N-CA 120.068 -1.063 . . . . 0.0 111.36 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.4 135.88 34.09 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.906 -1.349 . . . . 0.0 110.635 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.48 123.74 48.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.484 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.23 160.09 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.598 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.91 128.4 54.89 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.509 -1.37 . . . . 0.0 107.545 175.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.87 121.43 60.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.66 147.22 50.73 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 118.524 -1.27 . . . . 0.0 109.758 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.28 110.73 6.37 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 118.566 -1.254 . . . . 0.0 108.05 178.195 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.2 40.13 Favored Glycine 0 C--N 1.296 -1.663 0 C-N-CA 118.018 -2.039 . . . . 0.0 110.434 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.42 -40.62 82.97 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 114.474 -0.863 . . . . 0.0 112.167 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.04 36.76 3.56 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 115.919 -2.312 . . . . 0.0 108.537 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.36 -33.59 65.82 Favored 'General case' 0 N--CA 1.522 3.175 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.452 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.64 27.64 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 119.629 -1.919 . . . . 0.0 110.975 -176.51 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.71 97.77 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.52 77.55 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.477 -1.689 . . . . 0.0 109.985 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.75 -42.27 89.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-O 122.275 1.036 . . . . 0.0 109.257 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.95 -47.83 76.88 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-O 121.993 0.901 . . . . 0.0 108.697 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.83 -38.25 76.46 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.751 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' D' ' 377' ' ' LEU . 79.8 mt -75.67 -28.59 58.77 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.329 -1.482 . . . . 0.0 110.854 -174.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.56 -39.35 70.11 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.423 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -68.02 -49.2 62.95 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.25 84.28 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.496 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.484 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.31 85.27 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.874 -1.141 . . . . 0.0 111.548 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.81 61.59 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.103 -0.998 . . . . 0.0 110.289 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.28 45.83 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.565 -0.709 . . . . 0.0 111.358 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.725 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.05 125.54 12.39 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 124.314 2.007 . . . . 0.0 112.868 178.663 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.81 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 96.1 mt-10 . . . . . 0 C--N 1.278 -2.529 0 CA-C-N 111.116 -2.765 . . . . 0.0 110.116 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 8' ' ' VAL . 94.3 mt . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.538 0.209 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.88 -46.77 80.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.909 0.385 . . . . 1.9399999999999999 110.281 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -68.15 -36.63 79.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.276 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.44 HG11 HD11 ' A' ' 58' ' ' LEU . 97.2 t -63.22 -42.55 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.411 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 4' ' ' LEU . 70.0 t -60.73 -43.75 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.963 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.454 ' CE ' HD22 ' D' ' 347' ' ' LEU . 91.6 mtp -59.01 -41.75 88.48 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.559 -0.534 . . . . 0.17999999999999999 109.559 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.48 -41.25 98.05 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD13 ' OE1' ' A' ' 55' ' ' GLN . 83.5 mt -62.85 -43.16 99.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.145 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.76 -44.41 99.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.057 -0.52 . . . . 0.20000000000000001 109.738 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.521 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.0 mt -63.78 -44.64 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.01 109.992 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.74 -46.93 88.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.782 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -59.64 -43.74 93.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.972 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.26 99.71 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.4 mm-40 -64.13 -42.36 96.86 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.17 -49.82 76.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.837 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.619 HH12 ' HB2' ' A' ' 87' ' ' ALA . 62.9 ttm-85 -60.44 -46.95 88.2 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.1 p -54.82 -44.18 73.63 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.6 -42.43 98.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.708 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.6 -51.2 70.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.46 -42.5 92.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.605 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.98 92.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.809 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.89 89.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.683 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.24 -45.13 95.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.476 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -56.09 -41.87 75.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.02 -42.09 97.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.783 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.9 93.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.8 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.59 -29.44 70.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.103 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -80.59 -4.43 54.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.519 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 14.6 69.92 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.21 79.43 2.56 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.797 0.332 . . . . 0.0 110.266 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -64.63 -34.52 78.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.696 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -48.16 80.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.026 0.441 . . . . 0.0 110.803 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.81 82.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.416 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.89 81.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.35 -42.18 99.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.649 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.1 98.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.772 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.5 mmm -65.11 -40.19 94.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.487 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.596 ' HE1' HG23 ' A' ' 92' ' ' THR . 91.8 mtp -63.25 -41.23 99.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.587 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.41 -44.64 96.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 0.0 110.521 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -63.32 -41.77 98.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.243 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.2 m -60.36 -46.54 89.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.523 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 71.5 ttt180 -60.22 -42.78 95.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.237 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.4 ttp -60.74 -43.97 97.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.197 0.522 . . . . 0.0 110.553 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.68 97.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.148 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.469 HD21 ' CB ' ' A' ' 18' ' ' ALA . 92.6 mt -65.55 -40.54 92.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.639 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.06 -42.57 98.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.176 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.26 -40.02 93.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.205 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -45.66 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.45 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -61.05 -39.48 89.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.058 -0.519 . . . . 0.089999999999999997 110.443 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.6 mt -60.34 -44.4 95.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.313 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.21 -42.87 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.066 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.457 HE22 HD23 ' A' ' 74' ' ' LEU . 68.1 tp60 -60.39 -43.63 96.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.248 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 92.5 m -57.03 -43.36 81.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.059999999999999998 110.019 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.87 -39.37 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.599 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.44 HD11 HG11 ' A' ' 7' ' ' VAL . 97.8 mt -64.65 -30.31 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.67 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.407 ' CG1' HD22 ' A' ' 74' ' ' LEU . 96.5 mt -85.5 -32.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.050000000000000003 110.775 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.49 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 75' ' ' VAL . 83.9 p . . . . . 0 N--CA 1.461 0.111 0 N-CA-C 115.23 1.566 . . . . 0.0 115.23 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 72' ' ' LEU . 36.4 mt -57.74 -46.14 84.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.642 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' A' ' 8' ' ' VAL . 78.2 t -65.64 -48.08 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.547 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.457 HD23 HE22 ' A' ' 55' ' ' GLN . 85.2 mt -63.94 -42.32 97.36 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.983 0.42 . . . . 0.11 110.875 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 71' ' ' SER . 52.3 t -60.8 -47.74 91.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.806 -0.634 . . . . 0.38 110.155 -178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -59.03 -46.48 88.11 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.325 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.06 -43.28 95.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.496 -0.32 . . . . 0.059999999999999998 110.667 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.34 -40.3 95.92 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0900000000000001 110.145 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 83' ' ' THR . 40.3 tp -56.97 -46.5 82.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.404 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -67.52 -47.14 70.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.328 -0.396 . . . . 0.080000000000000002 110.722 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.32 -46.2 91.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.53 -43.43 98.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.224 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 79' ' ' LEU . 25.4 p -62.64 -44.85 95.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.073 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.3 m -62.29 -48.22 80.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.424 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -58.13 -47.83 82.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.515 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.56 -44.32 97.24 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.055 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.619 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -57.39 -47.97 80.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.784 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 69.5 ttt-85 -58.92 -45.02 91.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.092 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -60.85 -43.9 97.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.108 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -64.48 -41.93 96.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.095 0.474 . . . . 0.0 109.86 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.625 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 74.5 mt -60.14 -41.31 86.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.297 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.596 HG23 ' HE1' ' A' ' 41' ' ' MET . 68.9 m -57.26 -45.71 83.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.45 . . . . 0.0 109.902 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.23 -43.73 97.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.549 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 87.4 mt -59.98 -43.66 94.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.445 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 91.2 mt -61.76 -43.32 97.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.518 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.49 -40.11 90.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 97' ' ' LEU . 83.4 mt -62.61 -41.67 99.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.878 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 63.7 m80 -59.16 -40.5 85.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.63 -39.88 92.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.138 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.72 -37.37 87.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.393 179.802 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.644 ' O ' HG23 ' B' ' 8' ' ' VAL . 94.5 mt . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.595 0.236 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -65.17 -46.98 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.97 0.414 . . . . 1.9399999999999999 110.319 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -67.61 -36.75 81.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.198 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.432 HG11 HD11 ' B' ' 58' ' ' LEU . 98.1 t -63.42 -42.51 96.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.376 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.644 HG23 ' O ' ' B' ' 4' ' ' LEU . 70.1 t -60.89 -43.59 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.866 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.5 mtp -59.19 -41.62 88.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.535 -0.542 . . . . 0.17999999999999999 109.535 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -41.33 97.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.417 HD13 ' OE1' ' B' ' 55' ' ' GLN . 84.5 mt -62.62 -43.3 99.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.383 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.99 -44.1 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.952 -0.567 . . . . 0.28999999999999998 109.729 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.82 -44.12 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.02 109.922 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.68 -45.9 92.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -60.51 -43.29 97.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.116 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.18 -42.38 99.42 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.6 mm-40 -63.9 -42.65 97.38 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.91 -49.63 77.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.937 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.59 HH12 ' HB2' ' B' ' 87' ' ' ALA . 62.7 ttm-85 -60.49 -47.02 87.97 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 77.9 p -54.86 -44.41 73.98 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.29 -42.58 99.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.714 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.637 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.73 -51.18 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.401 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.4 -42.44 91.76 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.642 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.02 92.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.675 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.7 89.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.657 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.35 -45.5 94.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.308 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.94 -41.75 75.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.17 -42.04 97.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.944 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.61 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.695 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.0 -29.56 69.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.035 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.83 -4.29 54.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.297 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.75 14.26 70.61 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -97.87 79.54 2.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.346 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.94 -34.41 78.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.606 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.56 79.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.036 0.446 . . . . 0.0 110.798 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.77 81.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.415 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.4 -47.97 81.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.571 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.32 -42.45 99.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.613 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.11 99.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.752 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.7 mmm -65.25 -40.28 93.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.558 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.541 ' HE1' HG23 ' B' ' 92' ' ' THR . 91.7 mtp -62.92 -41.44 99.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.547 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -61.21 -45.15 95.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.93 -41.56 99.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -60.67 -46.37 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.486 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -60.36 -42.7 96.34 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.249 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -60.53 -44.34 96.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.299 0.571 . . . . 0.0 110.636 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.63 98.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.203 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' B' ' 18' ' ' ALA . 92.3 mt -65.62 -40.78 92.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.737 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.79 -42.42 97.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.335 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.49 -39.87 92.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.204 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -45.62 76.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.515 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -61.38 -39.25 89.97 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.089999999999999997 110.292 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 53' ' ' LEU . 39.3 mt -60.5 -44.07 96.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.407 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.59 -43.3 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.09 0.472 . . . . 0.0 109.965 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.455 HE22 HD23 ' B' ' 74' ' ' LEU . 68.2 tp60 -59.78 -43.8 94.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.252 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -56.93 -43.64 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.059999999999999998 110.056 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.55 -39.84 94.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.938 0.399 . . . . 0.0 110.554 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.432 HD11 HG11 ' B' ' 7' ' ' VAL . 97.1 mt -64.09 -30.76 71.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.418 ' CG1' HD22 ' B' ' 74' ' ' LEU . 96.4 mt -84.8 -32.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.103 -0.499 . . . . 0.040000000000000001 110.787 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.879 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.592 ' O ' HG23 ' B' ' 75' ' ' VAL . 88.1 p . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 121.046 0.451 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 72' ' ' LEU . 40.3 mt -59.68 -46.12 90.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.638 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' B' ' 8' ' ' VAL . 75.4 t -64.63 -47.47 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.54 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.455 HD23 HE22 ' B' ' 55' ' ' GLN . 85.5 mt -64.39 -42.05 96.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.069 0.461 . . . . 0.11 110.991 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 71' ' ' SER . 52.8 t -60.89 -47.02 95.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.862 -0.608 . . . . 0.38 110.288 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.684 ' CE1' ' HE2' ' B' ' 80' ' ' HIS . 59.1 t-80 -59.65 -46.64 88.42 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.854 -0.338 . . . . 1.1100000000000001 110.299 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.88 97.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.828 0.346 . . . . 0.059999999999999998 110.389 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.53 -40.62 97.36 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.209 -0.451 . . . . 1.0900000000000001 110.244 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.585 ' O ' HG23 ' B' ' 83' ' ' THR . 40.2 tp -56.82 -46.28 81.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.684 ' HE2' ' CE1' ' B' ' 76' ' ' HIS . 87.2 m-70 -67.77 -47.08 70.2 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.728 -0.389 . . . . 0.080000000000000002 110.72 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.34 -46.67 89.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -60.86 -43.93 97.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.257 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.585 HG23 ' O ' ' B' ' 79' ' ' LEU . 25.1 p -62.27 -45.12 94.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.116 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 71.8 m -61.81 -48.36 80.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -58.09 -47.93 81.71 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.503 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.44 -44.14 97.64 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.082 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ALA . . . . . 0.59 ' HB2' HH12 ' B' ' 19' ' ' ARG . . . -57.75 -47.7 81.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.846 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -59.09 -44.92 91.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.187 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.91 -43.9 97.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.175 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.47 -41.69 96.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.052 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.637 HD12 ' HB1' ' B' ' 22' ' ' ALA . 76.2 mt -60.29 -41.45 87.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.278 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.541 HG23 ' HE1' ' B' ' 41' ' ' MET . 68.2 m -57.13 -45.49 83.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.098 0.475 . . . . 0.0 109.868 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.61 -43.63 96.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.548 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.563 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.9 mt -59.88 -43.62 94.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.453 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.5 mt -62.06 -43.0 97.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.51 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.75 -40.33 92.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.52 -41.27 98.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.83 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.5 m80 -59.34 -40.6 86.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.53 -39.9 92.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.063 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.92 -37.18 86.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.207 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.373 179.754 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.654 ' O ' HG23 ' C' ' 8' ' ' VAL . 94.2 mt . . . . . 0 N--CA 1.457 -0.125 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -65.18 -46.57 80.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 1.9399999999999999 110.373 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -67.97 -36.61 80.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.288 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.428 HG11 HD11 ' C' ' 58' ' ' LEU . 94.4 t -63.43 -42.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.315 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.654 HG23 ' O ' ' C' ' 4' ' ' LEU . 70.9 t -60.97 -43.53 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.991 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mtp -59.27 -41.42 88.84 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.591 -0.522 . . . . 0.17999999999999999 109.591 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.59 -41.5 97.8 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.41 HD13 ' OE1' ' C' ' 55' ' ' GLN . 84.9 mt -62.85 -43.0 99.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.92 -44.38 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.549 . . . . 0.29999999999999999 109.78 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.73 -44.31 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.02 110.001 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.1 -46.5 90.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.872 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -60.13 -43.34 95.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.225 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.9 99.32 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -64.37 -42.39 96.19 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.24 -49.52 77.51 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.604 HH12 ' HB2' ' C' ' 87' ' ' ALA . 63.0 ttm-85 -60.59 -47.0 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.8 p -55.03 -44.01 74.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.53 -42.4 98.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.744 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -60.04 -50.77 72.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.72 -42.57 93.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.547 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.79 92.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.746 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.77 89.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.578 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.51 -45.31 94.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.398 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -56.0 -41.68 75.25 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.37 -41.81 97.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.907 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.13 93.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.858 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.62 -29.4 70.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.081 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.57 -4.35 53.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.426 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.81 14.34 70.25 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.2 79.4 2.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.8 0.333 . . . . 0.0 110.231 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.57 -34.68 78.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.518 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.92 81.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.982 0.42 . . . . 0.0 110.628 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.46 80.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.395 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.89 80.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.429 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.13 -42.44 99.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.597 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.26 99.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.729 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.3 mmm -65.34 -40.37 93.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.54 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.568 ' HE1' HG23 ' C' ' 92' ' ' THR . 91.9 mtp -62.82 -41.42 99.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.36 -45.19 95.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 0.0 110.384 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.95 -41.45 99.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.311 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m -60.76 -46.24 91.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.545 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.407 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 72.2 ttt180 -60.45 -42.79 96.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.329 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.7 ttp -60.47 -44.45 95.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.342 0.591 . . . . 0.0 110.54 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.66 97.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.305 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' C' ' 18' ' ' ALA . 92.2 mt -64.65 -41.05 96.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.688 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.75 -42.88 98.26 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.305 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -64.9 -40.13 94.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.991 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.8 76.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.396 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.569 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.2 t-80 -61.49 -39.0 89.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.089999999999999997 110.301 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.53 -44.01 96.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.267 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.57 -43.16 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.105 0.478 . . . . 0.0 109.99 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.469 HE22 HD23 ' C' ' 74' ' ' LEU . 68.1 tp60 -60.05 -43.71 95.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.182 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.867 HG21 HG22 ' D' ' 356' ' ' THR . 94.1 m -57.05 -43.42 81.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.375 -0.375 . . . . 0.059999999999999998 110.093 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 57' ' ' LYS . . . . . 0.545 ' NZ ' HG21 ' D' ' 356' ' ' THR . 14.5 mptt -62.97 -39.2 93.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.491 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' C' ' 4' ' ' LEU . 97.3 mt -64.58 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.728 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.426 ' CG1' HD22 ' C' ' 74' ' ' LEU . 96.5 mt -85.22 -32.57 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.999 -0.546 . . . . 0.059999999999999998 110.748 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.0 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.437 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 CA--C 1.519 -0.237 0 CA-C-O 120.591 0.234 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.573 HG13 HG21 ' C' ' 8' ' ' VAL . 68.5 t -66.73 -47.97 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 130.109 3.364 . . . . 0.0 110.572 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.469 HD23 HE22 ' C' ' 55' ' ' GLN . 85.7 mt -66.36 -41.64 89.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.11 111.004 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.26 -47.7 92.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.883 -0.599 . . . . 0.40000000000000002 110.242 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.675 ' CE1' ' HE2' ' C' ' 80' ' ' HIS . 59.1 t-80 -59.5 -46.64 88.24 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.876 -0.33 . . . . 1.02 110.241 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.79 96.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.941 0.4 . . . . 0.059999999999999998 110.458 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.68 -40.51 97.33 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0900000000000001 110.249 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.594 ' O ' HG23 ' C' ' 83' ' ' THR . 39.2 tp -56.65 -46.49 81.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.498 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.675 ' HE2' ' CE1' ' C' ' 76' ' ' HIS . 87.1 m-70 -67.68 -47.16 70.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.080000000000000002 110.755 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.32 -46.29 90.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.797 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.38 -43.49 98.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.393 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.594 HG23 ' O ' ' C' ' 79' ' ' LEU . 26.4 p -62.44 -45.19 94.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.147 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 70.1 m -61.93 -48.16 81.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.655 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -58.11 -48.08 81.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.56 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.29 -44.43 97.24 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.097 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 87' ' ' ALA . . . . . 0.604 ' HB2' HH12 ' C' ' 19' ' ' ARG . . . -57.33 -48.01 80.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.918 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 69.1 ttt-85 -58.86 -45.13 90.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.22 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.35 -44.42 95.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.157 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.2 -41.83 96.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 110.033 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.6 mt -60.08 -41.7 87.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.363 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.568 HG23 ' HE1' ' C' ' 41' ' ' MET . 69.8 m -56.79 -45.67 82.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.025 0.44 . . . . 0.0 109.992 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.47 -43.58 96.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.499 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.574 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.2 mt -59.91 -43.6 94.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.302 0.572 . . . . 0.0 109.523 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.449 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 90.8 mt -61.95 -43.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.523 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.66 -40.41 91.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.23 -41.53 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.919 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.9 m80 -59.23 -40.79 87.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.726 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' C' ' 103' ' ' ALA . 81.9 tt0 -61.35 -39.64 91.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.095 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.04 -37.45 87.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.222 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.31 135.21 50.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 56.12 14.89 1.61 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 103' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.579 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 121.856 0.836 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.81 142.99 36.63 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.99 156.33 38.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.974 -1.079 . . . . 0.0 109.5 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.24 28.56 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.33 18.96 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.067 -1.021 . . . . 0.0 108.347 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.81 144.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.7 136.6 37.01 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.096 0.95 . . . . 0.0 110.15 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.95 114.33 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.89 -4.32 19.3 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.86 85.85 Favored Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 119.706 -1.871 . . . . 0.0 110.594 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.48 -47.68 12.84 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 124.709 3.606 . . . . 0.0 114.178 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.569 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 97.6 m-20 -102.1 27.52 6.56 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 116.04 -2.264 . . . . 0.0 108.783 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.18 -123.96 24.51 Favored Glycine 0 N--CA 1.497 2.761 0 C-N-CA 117.627 -2.225 . . . . 0.0 109.577 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.719 HD11 HD23 ' D' ' 384' ' ' LEU . 3.0 tp -129.97 81.58 2.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.905 -1.35 . . . . 0.0 109.514 -176.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -85.45 174.62 9.38 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.865 -1.534 . . . . 0.0 112.173 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 69.8 p -26.41 -58.36 0.08 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -53.94 -64.72 1.61 Allowed Pre-proline 0 N--CA 1.492 1.633 0 C-N-CA 120.212 -0.595 . . . . 0.0 112.5 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.45 -32.23 60.31 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.156 1.904 . . . . 0.0 111.539 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.481 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.81 86.7 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.525 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.521 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.68 72.42 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.96 -39.37 93.99 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 117.968 -1.493 . . . . 0.0 109.442 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.72 -45.31 93.34 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 122.622 1.201 . . . . 0.0 108.702 -177.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.481 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.3 t -62.57 -42.27 95.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.238 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.708 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -63.91 -40.25 96.05 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.269 -0.894 . . . . 0.0 109.737 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.527 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.8 -39.72 79.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.387 -0.82 . . . . 0.0 109.564 177.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.0 91.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.659 -1.276 . . . . 0.0 109.448 178.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.28 -16.25 43.64 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.44 86.2 Favored Glycine 0 N--CA 1.479 1.509 0 O-C-N 119.885 -1.759 . . . . 0.0 109.299 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.423 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.54 143.32 32.89 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.245 -1.738 . . . . 0.0 109.996 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.59 -30.05 59.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.18 -0.95 . . . . 0.0 112.377 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.52 10.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 119.799 -1.813 . . . . 0.0 112.751 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.27 35.39 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 102.877 -3.008 . . . . 0.0 102.877 171.179 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.7 136.55 60.47 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 O-C-N 121.125 -0.985 . . . . 0.0 109.314 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.94 143.12 51.04 Favored 'General case' 0 C--N 1.284 -2.239 0 CA-C-O 123.102 1.43 . . . . 0.0 110.014 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.02 129.91 61.4 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.71 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.3 m -127.47 119.55 26.36 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.965 -1.084 . . . . 0.0 108.95 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.47 122.57 39.26 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.591 -0.693 . . . . 0.0 109.993 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.3 t30 51.76 38.96 24.44 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.868 -1.145 . . . . 0.0 112.778 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 10.97 83.66 Favored Glycine 0 N--CA 1.502 3.092 0 O-C-N 119.859 -1.776 . . . . 0.0 112.552 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.29 54.53 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.82 158.55 33.12 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-O 123.751 1.739 . . . . 0.0 112.399 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.38 31.36 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 112.416 -2.175 . . . . 0.0 108.515 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 135.99 48.79 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.02 -6.78 47.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.78 -1.2 . . . . 0.0 110.717 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.47 13.02 31.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.674 -1.266 . . . . 0.0 109.433 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.5 t -133.13 104.12 6.35 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.096 0.951 . . . . 0.0 110.1 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.454 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.3 tp -57.26 -37.9 73.05 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.941 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -58.83 -51.38 70.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.529 -1.357 . . . . 0.0 113.118 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.44 70.51 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 119.541 -1.975 . . . . 0.0 109.16 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.75 -33.84 75.98 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.927 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.495 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.62 -10.45 52.2 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.64 -0.663 . . . . 0.0 109.937 -177.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.9 p -89.77 -7.65 53.95 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 118.125 -1.43 . . . . 0.0 110.954 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.44 159.3 15.31 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.209 -0.932 . . . . 0.0 110.096 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 106.893 -2.483 . . . . 0.0 106.893 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.5 mt -119.62 47.34 1.73 Allowed 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.7 -1.471 . . . . 0.0 107.413 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.867 HG22 HG21 ' C' ' 56' ' ' THR . 2.7 p -81.4 172.55 13.41 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.222 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.62 140.89 57.24 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.893 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.22 78.82 Favored Glycine 0 N--CA 1.5 2.922 0 C-N-CA 120.033 -1.079 . . . . 0.0 111.313 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.46 135.93 34.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.909 -1.348 . . . . 0.0 110.572 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.52 123.69 48.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.17 160.12 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 117.364 -1.734 . . . . 0.0 110.632 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.5 m -108.88 128.39 54.88 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.48 -1.387 . . . . 0.0 107.556 175.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.89 121.37 60.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.57 147.24 50.7 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -179.561 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.18 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.404 -1.318 . . . . 0.0 109.737 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.13 110.79 6.44 Favored 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 118.608 -1.237 . . . . 0.0 108.045 178.187 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.3 40.14 Favored Glycine 0 C--N 1.295 -1.701 0 C-N-CA 117.994 -2.051 . . . . 0.0 110.331 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.41 -40.67 83.09 Favored 'General case' 0 C--N 1.276 -2.6 0 CA-C-N 114.347 -0.926 . . . . 0.0 112.142 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -113.99 36.86 3.5 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 115.87 -2.332 . . . . 0.0 108.646 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.61 65.9 Favored 'General case' 0 N--CA 1.522 3.132 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.476 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.57 27.47 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 119.619 -1.925 . . . . 0.0 110.972 -176.54 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.781 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.5 -40.78 97.98 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.51 77.59 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 117.506 -1.678 . . . . 0.0 109.996 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.79 -42.24 89.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-O 122.206 1.003 . . . . 0.0 109.274 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.9 -47.98 76.46 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-O 122.075 0.94 . . . . 0.0 108.723 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.781 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.73 -38.4 76.85 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.697 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.54 -28.66 59.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.408 -1.432 . . . . 0.0 110.837 -174.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.49 70.93 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.508 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.2 63.34 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.527 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.27 84.27 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.01 -1.076 . . . . 0.0 110.491 177.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.32 -37.43 85.57 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.901 -1.124 . . . . 0.0 111.487 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.82 -31.83 61.8 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.136 -0.977 . . . . 0.0 110.32 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.35 45.87 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.482 -0.761 . . . . 0.0 111.35 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.719 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.06 125.46 12.22 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 124.394 2.045 . . . . 0.0 112.871 178.686 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.8 mt-10 . . . . . 0 C--N 1.278 -2.536 0 CA-C-N 111.084 -2.78 . . . . 0.0 110.186 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.2 mt . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.93 -46.13 82.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.908 0.385 . . . . 1.9399999999999999 110.197 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -67.37 -36.18 80.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.251 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 58' ' ' LEU . 91.2 t -63.79 -42.59 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.431 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 4' ' ' LEU . 84.6 t -60.44 -44.19 95.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.973 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.501 ' CE ' HD22 ' D' ' 347' ' ' LEU . 89.9 mtp -58.88 -42.39 89.36 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.465 -0.568 . . . . 0.17999999999999999 109.465 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -41.51 98.56 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.407 HD13 ' NE2' ' A' ' 55' ' ' GLN . 83.9 mt -62.89 -43.17 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.226 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.11 -43.98 99.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.022 -0.535 . . . . 0.20000000000000001 109.77 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.552 HD11 ' HB1' ' D' ' 320' ' ' ALA . 92.5 mt -64.02 -44.4 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.01 109.978 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.508 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 48.6 t-20 -61.16 -46.22 91.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.724 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -60.0 -44.11 94.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.929 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.84 -41.81 99.79 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -64.48 -42.58 95.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.565 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.59 -49.4 77.6 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.854 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.53 -46.43 90.2 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.3 m -54.76 -43.85 73.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.08 -42.78 99.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.723 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.587 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.57 -50.74 72.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.54 -42.51 92.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.598 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.73 92.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.752 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.34 86.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.663 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.23 -45.27 95.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.434 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.73 -42.11 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.86 -41.87 96.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.795 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.61 92.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.75 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.75 -29.69 69.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.161 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.7 -4.32 55.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.488 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.85 17.16 63.96 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.34 78.85 2.07 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.718 0.294 . . . . 0.0 110.286 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -64.7 -34.36 78.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.34 75.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.132 0.491 . . . . 0.0 110.788 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.83 82.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.302 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.98 -48.47 78.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.46 -43.41 98.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.645 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.34 99.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.814 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.34 -40.35 93.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.492 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.487 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 91.2 mmm -63.93 -40.87 97.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.663 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.25 -44.23 97.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.014 0.435 . . . . 0.0 110.505 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.97 -40.46 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.161 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 t -61.8 -45.75 92.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.509 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 70.5 ttt180 -60.47 -42.56 96.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.345 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.8 ttp -60.57 -44.66 95.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.237 0.542 . . . . 0.0 110.579 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.02 97.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.217 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.565 HD21 ' CB ' ' A' ' 18' ' ' ALA . 96.5 mt -65.29 -40.32 93.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.618 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.38 -42.04 98.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.359 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -65.49 -40.2 92.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.198 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.508 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.13 -45.02 78.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.441 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -61.7 -39.02 89.99 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.019 -0.537 . . . . 0.089999999999999997 110.373 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.0 mt -60.35 -44.07 95.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.91 -42.73 92.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.997 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.549 ' NE2' ' HB1' ' A' ' 77' ' ' ALA . 11.2 tp-100 -60.86 -43.11 98.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.281 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.3 m -56.88 -42.99 80.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.059999999999999998 110.087 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.89 -40.22 92.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.528 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.547 HD22 HD22 ' A' ' 4' ' ' LEU . 96.4 mt -68.69 -39.7 80.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.65 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.58 -40.35 84.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.050000000000000003 110.853 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.501 -179.077 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.588 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.8 p . . . . . 0 N--CA 1.461 0.121 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 72' ' ' LEU . 33.5 mt -57.89 -45.63 86.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.573 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 8' ' ' VAL . 78.1 t -64.55 -48.5 84.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.905 0.383 . . . . 0.0 110.588 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.9 -42.06 97.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.184 -0.462 . . . . 0.11 110.895 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 71' ' ' SER . 56.0 t -59.51 -47.31 91.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.749 -0.66 . . . . 0.38 110.227 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -59.68 -44.99 93.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.848 0.356 . . . . 0.0 110.347 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HB1' ' NE2' ' A' ' 55' ' ' GLN . . . -64.19 -43.54 94.76 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.427 -0.352 . . . . 0.059999999999999998 110.67 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -62.48 -39.79 94.6 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.195 -0.457 . . . . 1.0900000000000001 110.201 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 83' ' ' THR . 47.5 tp -56.27 -46.46 79.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.392 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -67.78 -46.01 73.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.668 -0.413 . . . . 0.080000000000000002 110.71 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.08 -46.57 90.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.823 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.1 mmt -61.57 -43.34 99.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.204 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.8 p -63.57 -46.98 83.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.088 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.8 t -62.54 -48.61 78.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.9 tpp -57.47 -48.54 78.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.533 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.06 -44.37 97.49 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.156 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.47 79.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.847 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 70.8 ttt-85 -58.43 -46.23 86.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.146 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.43 -44.08 96.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.064 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.98 -42.07 97.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.094 0.473 . . . . 0.0 109.83 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.587 HD12 ' HB1' ' A' ' 22' ' ' ALA . 73.3 mt -60.68 -42.61 92.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.487 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.4 m -57.22 -45.8 83.54 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.63 -0.428 . . . . 0.0 109.901 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.52 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.6 mt-10 -63.78 -43.06 97.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.485 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.466 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 79.2 mt -59.76 -43.31 94.38 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.93 -42.83 94.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.512 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -62.48 -38.39 89.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 97' ' ' LEU . 37.7 mt -62.7 -42.04 99.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.857 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.6 m80 -60.34 -39.16 86.12 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.19 -39.1 91.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.179 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.61 -39.61 94.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.148 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.363 179.701 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.622 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.3 mt . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.578 0.228 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.03 -46.04 82.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 1.9399999999999999 110.379 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -67.21 -36.14 81.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.232 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.498 HG11 HD11 ' B' ' 58' ' ' LEU . 92.5 t -63.83 -42.35 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.622 HG23 ' O ' ' B' ' 4' ' ' LEU . 83.6 t -60.89 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.878 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mtp -59.01 -42.06 89.24 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.575 -0.528 . . . . 0.17999999999999999 109.575 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.42 98.12 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.91 -43.05 99.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 110.398 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.2 -43.96 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.958 -0.565 . . . . 0.28999999999999998 109.695 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.15 -44.45 97.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.918 -0.583 . . . . 0.02 109.902 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 48.3 t-20 -61.06 -46.04 92.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.809 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.6 t -60.2 -44.1 95.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.124 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -41.64 99.83 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.33 -43.02 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.546 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.32 -49.2 78.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.922 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.79 -45.89 92.62 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.9 m -55.27 -43.6 74.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.26 -43.01 99.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.677 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.589 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.37 -50.98 71.89 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.37 -42.44 91.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.691 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.18 93.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.737 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.33 85.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.621 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.24 -45.55 94.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.301 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.51 -42.2 74.15 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.72 -41.75 95.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.866 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.68 93.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.685 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.71 -29.75 69.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.059 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.78 -4.04 55.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.42 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.59 17.12 64.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.28 78.77 2.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.815 0.341 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.58 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -49.15 76.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.064 0.459 . . . . 0.0 110.814 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.66 81.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.72 77.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.628 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.1 -43.67 98.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.6 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.41 99.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.21 -40.57 94.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.476 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 91.3 mmm -63.71 -40.84 97.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.587 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.31 -44.49 96.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.477 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.47 -40.41 96.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.29 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 43.8 t -61.96 -45.87 91.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.405 ' HB2' ' NH2' ' B' ' 88' ' ' ARG . 70.2 ttt180 -60.48 -42.52 96.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.251 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 55.2 ttp -60.48 -44.8 95.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.285 0.564 . . . . 0.0 110.653 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.97 97.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.148 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.546 HD21 ' CB ' ' B' ' 18' ' ' ALA . 96.4 mt -65.51 -40.35 92.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.69 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.43 -41.39 97.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.394 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.95 -40.35 91.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.154 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.496 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.06 -45.27 77.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.433 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -61.38 -39.1 89.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.089999999999999997 110.254 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.7 mt -60.49 -44.06 96.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.412 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.62 -43.45 93.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 110.074 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.581 ' NE2' ' HB1' ' B' ' 77' ' ' ALA . 11.3 tp-100 -60.04 -43.75 95.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.3 m -56.37 -43.15 78.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.059999999999999998 109.955 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.14 -39.81 91.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.918 0.389 . . . . 0.0 110.529 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.526 HD22 HD22 ' B' ' 4' ' ' LEU . 97.9 mt -68.91 -39.5 79.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.75 -40.36 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.038 -0.528 . . . . 0.040000000000000001 110.798 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.617 -179.291 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.629 ' O ' HG23 ' B' ' 75' ' ' VAL . 99.0 p . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 121.036 0.446 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 72' ' ' LEU . 36.9 mt -60.27 -45.4 93.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.545 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.561 HG13 HG21 ' B' ' 8' ' ' VAL . 73.9 t -63.6 -47.98 88.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.764 0.316 . . . . 0.0 110.573 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.24 -41.89 96.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.136 0.493 . . . . 0.11 110.984 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 71' ' ' SER . 56.1 t -59.41 -47.16 91.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.343 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.434 ' NE2' ' NE2' ' B' ' 80' ' ' HIS . 49.6 t60 -59.47 -45.91 90.27 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.854 -0.338 . . . . 1.1100000000000001 110.317 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.581 ' HB1' ' NE2' ' B' ' 55' ' ' GLN . . . -63.38 -43.68 96.91 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.864 0.364 . . . . 0.059999999999999998 110.409 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.49 -39.98 95.24 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.124 -0.489 . . . . 1.0900000000000001 110.216 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 83' ' ' THR . 46.5 tp -56.2 -46.6 79.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.363 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.434 ' NE2' ' NE2' ' B' ' 76' ' ' HIS . 69.5 m-70 -67.62 -45.89 74.07 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.681 -0.408 . . . . 0.080000000000000002 110.796 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.35 -46.34 90.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 19.4 mmt -61.81 -43.52 98.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.236 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.1 p -63.17 -47.02 84.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.133 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -62.36 -48.95 77.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.673 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.6 tpp -57.05 -48.92 77.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.412 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.83 -44.46 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.118 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.33 80.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.942 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' B' ' 45' ' ' ARG . 71.4 ttt-85 -58.87 -45.76 89.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.275 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.67 -43.99 97.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.219 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.95 -42.16 97.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.029 0.442 . . . . 0.0 109.984 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.589 HD12 ' HB1' ' B' ' 22' ' ' ALA . 73.4 mt -60.67 -42.57 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.195 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.476 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 16.2 m -57.11 -46.12 82.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.061 0.458 . . . . 0.0 109.919 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.4 mt-10 -63.63 -42.45 98.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.49 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.52 HD13 ' OE1' ' A' ' 93' ' ' GLU . 78.5 mt -60.43 -43.2 97.04 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.09 -42.84 94.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.554 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -62.17 -38.97 91.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.1 mt -62.31 -42.12 99.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.834 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.3 m80 -60.24 -39.31 86.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.723 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.16 -39.03 91.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.056 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.7 -39.49 94.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.115 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.383 179.631 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.639 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.5 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.568 0.223 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.03 -45.95 83.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 1.9399999999999999 110.424 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -67.43 -35.86 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.489 HG11 HD11 ' C' ' 58' ' ' LEU . 91.8 t -63.95 -42.62 96.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.372 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.639 HG23 ' O ' ' C' ' 4' ' ' LEU . 84.7 t -60.71 -43.92 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.029 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.1 -42.07 89.63 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.539 -0.541 . . . . 0.17999999999999999 109.539 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.16 -41.59 98.33 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.409 HD13 ' NE2' ' C' ' 55' ' ' GLN . 84.8 mt -62.72 -42.96 99.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.969 0.414 . . . . 0.0 110.388 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.3 -44.1 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.556 . . . . 0.29999999999999999 109.707 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.99 -44.26 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.02 110.053 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.488 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 48.9 t-20 -61.38 -46.24 91.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.719 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -59.79 -44.29 94.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.1 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.83 99.78 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.2 -42.9 96.44 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.546 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.28 -49.56 76.69 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.56 -46.16 91.24 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 64.6 m -54.93 -43.89 73.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.97 -42.71 99.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.778 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.581 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.81 -50.57 73.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.62 -42.74 93.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.549 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.94 92.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.732 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.35 86.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.615 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.25 -45.32 95.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.374 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.67 -42.18 74.76 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.74 -41.82 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.966 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.26 92.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.776 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.06 -29.56 69.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.123 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -81.84 -4.29 56.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.469 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 17.3 63.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -100.34 78.65 2.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.782 0.325 . . . . 0.0 110.308 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -64.64 -34.57 78.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -48.76 78.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 0.0 110.646 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.65 81.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.16 79.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.522 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.5 -43.67 98.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.572 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.53 99.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 87.9 mmm -65.28 -40.49 93.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.487 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 91.3 mmm -63.72 -41.05 98.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.33 -44.2 97.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.408 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.71 -40.22 96.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.294 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -62.25 -45.89 91.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.449 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.409 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 70.0 ttt180 -60.37 -42.43 95.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.35 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 56.9 ttp -60.61 -44.95 95.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.316 0.579 . . . . 0.0 110.518 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.64 98.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.546 HD21 ' CB ' ' C' ' 18' ' ' ALA . 95.1 mt -64.83 -40.8 95.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.718 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.1 -41.79 97.33 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.367 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.65 -40.22 92.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.078 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.488 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.16 -45.5 76.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.397 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.563 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.4 t60 -61.21 -38.84 88.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.089999999999999997 110.282 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.82 -43.89 97.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.352 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.6 -43.46 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.031 0.443 . . . . 0.0 109.967 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.579 ' NE2' ' HB1' ' C' ' 77' ' ' ALA . 11.3 tp-100 -60.11 -43.75 95.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.273 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.811 HG21 HG22 ' D' ' 356' ' ' THR . 16.0 m -56.3 -43.15 78.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.059999999999999998 110.197 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.13 -39.76 91.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.504 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.531 HD22 HD22 ' C' ' 4' ' ' LEU . 96.6 mt -68.88 -39.46 79.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.822 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.73 -40.2 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.059999999999999998 110.836 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.52 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.2 mm-40 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.461 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.641 0.258 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.581 HG13 HG21 ' C' ' 8' ' ' VAL . 69.5 t -65.07 -48.48 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 130.053 3.341 . . . . 0.0 110.645 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.93 -41.72 90.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.072 0.463 . . . . 0.11 111.043 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.94 -47.42 91.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.749 -0.66 . . . . 0.40000000000000002 110.297 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.415 ' NE2' ' NE2' ' C' ' 80' ' ' HIS . 49.9 t60 -59.73 -45.77 91.17 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.914 -0.314 . . . . 1.02 110.242 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.579 ' HB1' ' NE2' ' C' ' 55' ' ' GLN . . . -63.64 -43.43 96.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.896 0.379 . . . . 0.059999999999999998 110.41 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.79 -39.72 95.13 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.251 -0.432 . . . . 1.0900000000000001 110.311 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.504 ' O ' HG23 ' C' ' 83' ' ' THR . 46.3 tp -56.28 -46.51 79.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.499 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.415 ' NE2' ' NE2' ' C' ' 76' ' ' HIS . 69.7 m-70 -67.68 -46.06 73.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.399 . . . . 0.080000000000000002 110.76 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.11 -46.68 89.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.792 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 19.6 mmt -61.47 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.358 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.504 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.6 p -63.82 -46.61 84.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.152 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.81 -48.79 77.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.6 tpp -56.98 -48.72 77.73 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.694 0.283 . . . . 0.0 110.505 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.11 -44.37 97.44 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.115 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.09 -48.05 81.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.969 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.409 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 70.7 ttt-85 -59.01 -45.77 89.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.23 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.48 -44.25 96.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.168 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.92 -42.13 97.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.189 0.519 . . . . 0.0 110.008 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.581 HD12 ' HB1' ' C' ' 22' ' ' ALA . 73.4 mt -60.65 -42.5 92.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.406 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.487 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 16.8 m -57.08 -46.14 82.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.47 . . . . 0.0 110.011 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.62 -42.73 98.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.509 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' B' ' 93' ' ' GLU . 79.1 mt -60.07 -43.27 95.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.89 -42.95 94.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.597 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -62.04 -39.14 91.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.135 0.493 . . . . 0.0 109.763 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.7 mt -62.11 -42.02 98.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.912 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.5 m80 -60.56 -39.0 86.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.705 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.2 tt0 -62.07 -39.38 92.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.117 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.33 -39.33 94.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.256 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.63 -41.59 96.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.386 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 102' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.3 mttt -90.64 140.99 29.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.489 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.502 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.53 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.217 -0.656 0 CA-C-O 121.866 0.841 . . . . 0.0 108.929 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.04 36.63 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.25 38.42 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.104 -0.998 . . . . 0.0 109.498 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.12 28.44 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.29 18.95 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.101 -0.999 . . . . 0.0 108.416 178.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.75 136.65 37.0 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.189 0.995 . . . . 0.0 110.076 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.97 114.33 24.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.89 -4.36 19.26 Favored 'General case' 0 C--N 1.264 -3.128 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.819 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.46 141.8 85.91 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 119.691 -1.881 . . . . 0.0 110.632 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.53 -47.65 12.98 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 124.717 3.612 . . . . 0.0 114.159 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.563 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 97.8 m-20 -102.11 27.46 6.62 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 116.076 -2.25 . . . . 0.0 108.803 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 64.95 -132.28 36.81 Favored Glycine 0 N--CA 1.496 2.683 0 C-N-CA 117.675 -2.202 . . . . 0.0 109.559 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 9.4 tp -119.25 80.77 1.61 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.927 -1.337 . . . . 0.0 109.469 -176.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -86.72 175.41 8.27 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 117.804 -1.559 . . . . 0.0 112.231 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 81.4 p -25.08 -68.49 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 -177.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -47.34 -64.51 1.0 Allowed Pre-proline 0 N--CA 1.494 1.745 0 C-N-CA 120.124 -0.63 . . . . 0.0 112.477 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.39 -32.29 60.82 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 C-N-CA 121.884 1.723 . . . . 0.0 111.519 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.437 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.9 -38.81 86.95 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.275 -0.891 . . . . 0.0 109.527 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.98 -39.7 72.35 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.99 -39.41 94.05 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.019 -1.473 . . . . 0.0 109.443 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.29 93.44 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.596 1.188 . . . . 0.0 108.684 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.437 HG23 ' O ' ' D' ' 319' ' ' ALA . 54.9 t -62.62 -42.36 95.69 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.289 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.642 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.438 ' HZ1' HD12 ' A' ' 13' ' ' ILE . 91.7 mttt -63.86 -40.2 96.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.236 -0.915 . . . . 0.0 109.84 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.527 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.7 80.13 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.46 -0.775 . . . . 0.0 109.595 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.91 92.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.593 -1.317 . . . . 0.0 109.42 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.29 -16.26 43.8 Favored 'General case' 0 N--CA 1.511 2.579 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.61 86.03 Favored Glycine 0 N--CA 1.478 1.445 0 O-C-N 119.909 -1.744 . . . . 0.0 109.355 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.422 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.41 143.29 32.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.3 -1.706 . . . . 0.0 110.037 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.5 p -75.58 -30.08 59.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.272 -0.892 . . . . 0.0 112.348 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.72 158.57 10.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 119.885 -1.759 . . . . 0.0 112.831 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.2 35.31 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 102.805 -3.035 . . . . 0.0 102.805 171.241 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.59 60.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.386 0 CA-C-O 122.207 1.004 . . . . 0.0 109.28 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.92 143.24 50.97 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-O 123.085 1.422 . . . . 0.0 109.948 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.0 t -108.12 129.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.771 0 N-CA-C 105.534 -2.025 . . . . 0.0 105.534 173.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.46 119.59 26.44 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.891 -1.131 . . . . 0.0 108.989 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.52 122.59 39.28 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.56 -0.713 . . . . 0.0 109.914 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.76 38.91 24.3 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.965 -1.085 . . . . 0.0 112.757 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.99 83.54 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 119.959 -1.713 . . . . 0.0 112.516 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.81 136.28 54.53 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.77 158.55 33.03 Favored 'General case' 0 C--N 1.276 -2.63 0 CA-C-O 123.775 1.75 . . . . 0.0 112.468 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.41 31.46 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 112.493 -2.139 . . . . 0.0 108.582 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.63 135.99 48.81 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.05 -6.76 47.72 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.608 -1.307 . . . . 0.0 110.657 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.46 12.92 31.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.648 -1.282 . . . . 0.0 109.382 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.8 t -133.07 104.19 6.4 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 122.14 0.971 . . . . 0.0 110.154 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.501 HD22 ' CE ' ' A' ' 9' ' ' MET . 53.9 tp -57.3 -37.85 73.08 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.969 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -58.88 -51.33 70.47 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.61 -1.306 . . . . 0.0 113.081 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.41 70.46 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 119.594 -1.942 . . . . 0.0 109.234 -178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.77 -33.74 75.8 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.95 -1.1 . . . . 0.0 109.982 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.52 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.66 -10.47 52.56 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.675 -0.641 . . . . 0.0 109.895 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.9 p -89.81 -7.73 53.69 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 118.077 -1.449 . . . . 0.0 110.919 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.32 159.35 15.3 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.197 -0.939 . . . . 0.0 110.208 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.75 2.96 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.54 47.39 1.72 Allowed 'General case' 0 C--N 1.308 -1.224 0 O-C-N 120.798 -1.413 . . . . 0.0 107.439 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.811 HG22 HG21 ' C' ' 56' ' ' THR . 3.4 p -81.44 172.56 13.38 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.781 -1.168 . . . . 0.0 109.254 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.7 140.92 57.34 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.289 -0.965 . . . . 0.0 109.904 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.25 78.91 Favored Glycine 0 N--CA 1.501 2.98 0 C-N-CA 120.03 -1.081 . . . . 0.0 111.408 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.44 135.86 34.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.93 -1.335 . . . . 0.0 110.634 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.48 123.7 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.17 160.07 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 C-N-CA 117.418 -1.713 . . . . 0.0 110.635 178.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.87 128.44 54.91 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 120.604 -1.31 . . . . 0.0 107.542 175.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.91 121.38 60.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.18 50.7 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -179.521 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.71 153.47 47.24 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.697 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.53 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.8 6.42 Favored 'General case' 0 C--N 1.288 -2.07 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.04 178.163 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.34 40.16 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 118.001 -2.047 . . . . 0.0 110.392 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.43 -40.57 82.91 Favored 'General case' 0 C--N 1.275 -2.661 0 CA-C-N 114.349 -0.926 . . . . 0.0 112.169 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.05 36.79 3.55 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 118.94 -2.35 . . . . 0.0 108.594 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.4 -33.47 65.81 Favored 'General case' 0 N--CA 1.522 3.138 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -174.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.464 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.96 -45.57 27.15 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 119.657 -1.902 . . . . 0.0 110.987 -176.569 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.84 98.17 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.45 77.82 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 117.435 -1.706 . . . . 0.0 110.061 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.2 t -66.8 -42.2 88.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-O 122.278 1.037 . . . . 0.0 109.347 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.85 -47.96 76.34 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.105 0.955 . . . . 0.0 108.765 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.75 -38.33 76.76 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.72 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.61 -28.66 58.95 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.457 -1.402 . . . . 0.0 110.899 -174.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.37 -39.51 71.95 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.446 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.26 62.88 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.527 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.24 -45.25 84.12 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.532 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.35 -37.34 85.29 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.884 -1.135 . . . . 0.0 111.532 -177.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -75.0 -31.72 61.47 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.203 -0.936 . . . . 0.0 110.313 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.94 -32.17 45.42 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.529 -0.732 . . . . 0.0 111.39 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.11 125.47 12.31 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 124.305 2.003 . . . . 0.0 112.87 178.632 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.819 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.1 mm-40 . . . . . 0 C--N 1.276 -2.592 0 CA-C-N 111.214 -2.721 . . . . 0.0 110.136 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.689 ' O ' HG23 ' A' ' 8' ' ' VAL . 94.5 mt . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.09 -46.72 79.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.894 0.378 . . . . 1.9399999999999999 110.292 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.51 -35.66 77.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.311 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.48 HG11 HD11 ' A' ' 58' ' ' LEU . 90.9 t -64.36 -41.61 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.413 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 4' ' ' LEU . 78.7 t -61.18 -44.04 97.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.876 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 86.4 mtp -58.7 -42.35 88.4 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.484 -0.562 . . . . 0.17999999999999999 109.484 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.04 97.82 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.31 -43.36 98.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.221 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.0 -44.64 99.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.20000000000000001 109.747 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.1 -44.27 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.529 . . . . 0.01 109.979 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.2 t-20 -61.1 -46.79 89.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.766 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -59.92 -43.39 94.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.018 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.563 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.14 -42.22 99.52 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -64.32 -43.05 95.88 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.05 75.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.822 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -60.07 -46.74 88.57 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -54.36 -43.96 71.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.52 -42.11 98.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.757 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.08 -50.47 73.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -59.73 -41.56 91.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.651 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.3 92.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.73 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.32 85.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.652 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.8 -45.03 96.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.402 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.48 -42.08 77.68 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -61.62 -44.21 97.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.817 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.02 95.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.765 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.7 -31.36 70.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.145 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -82.19 -3.49 55.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.373 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.25 16.88 68.12 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -99.37 79.26 2.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.748 0.309 . . . . 0.0 110.195 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.63 -33.61 76.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.656 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.59 74.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.003 0.43 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.13 80.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.1 81.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.54 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.84 -42.02 98.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.627 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -44.0 97.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.55 -39.92 92.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.535 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.533 ' HE1' HG23 ' A' ' 92' ' ' THR . 90.1 mtp -62.1 -42.78 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.606 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.35 -43.98 97.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.438 . . . . 0.0 110.575 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.44 -41.15 98.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.215 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.4 t -61.75 -47.07 86.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.526 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -60.23 -43.31 96.14 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.35 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.21 -43.66 95.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.18 0.514 . . . . 0.0 110.556 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.76 -43.92 94.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.223 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.84 -40.68 95.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.86 -42.94 98.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.284 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.03 -39.77 93.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.164 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.32 -46.12 74.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.476 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -60.87 -39.35 88.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.089999999999999997 110.36 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.5 mt -60.97 -44.08 97.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.357 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.65 -43.12 90.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.962 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.41 HE22 HD23 ' A' ' 74' ' ' LEU . 67.4 tp60 -60.25 -44.35 95.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.237 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.1 m -56.8 -42.84 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.059999999999999998 110.018 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.69 -39.94 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.515 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 4' ' ' LEU . 97.8 mt -63.63 -30.57 71.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.666 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.4 mt -83.72 -31.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.050000000000000003 110.886 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.44 179.885 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 75' ' ' VAL . 66.6 p . . . . . 0 N--CA 1.461 0.114 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.31 -41.4 84.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.563 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' A' ' 8' ' ' VAL . 65.0 t -64.72 -45.55 94.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.86 0.362 . . . . 0.0 110.559 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 HE22 ' A' ' 55' ' ' GLN . 82.4 mt -63.53 -41.98 98.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.213 -0.448 . . . . 0.11 110.956 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 71' ' ' SER . 53.6 t -59.86 -47.29 92.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.795 -0.639 . . . . 0.38 110.153 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -58.34 -46.28 86.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.837 0.351 . . . . 0.0 110.344 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.73 -43.04 94.67 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.415 -0.357 . . . . 0.059999999999999998 110.62 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.93 -41.13 97.6 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0900000000000001 110.181 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 83' ' ' THR . 44.1 tp -56.6 -45.57 81.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.368 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -66.87 -46.26 75.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.303 -0.408 . . . . 0.080000000000000002 110.747 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.36 -45.85 92.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.847 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.65 -43.43 98.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.189 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.8 p -63.59 -45.48 90.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.095 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.85 -49.92 72.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.386 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.14 -48.23 79.21 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.555 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.97 -44.0 97.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.94 0.4 . . . . 0.0 110.089 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.91 -48.78 78.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.797 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -59.06 -45.3 91.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.117 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.597 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 96.2 mt-10 -60.35 -44.72 95.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.076 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.67 -43.1 94.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.163 0.506 . . . . 0.0 109.878 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.543 HD12 ' HB1' ' A' ' 22' ' ' ALA . 78.4 mt -60.33 -42.26 90.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.533 HG23 ' HE1' ' A' ' 41' ' ' MET . 6.3 m -57.62 -46.35 84.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.01 0.433 . . . . 0.0 109.841 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.59 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.2 mt-10 -64.1 -42.78 96.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.574 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.406 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 69.8 mt -59.27 -43.87 92.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.95 -42.51 93.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.554 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -61.78 -38.78 89.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.786 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 97' ' ' LEU . 82.5 mt -62.58 -41.88 99.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.907 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 66.7 m80 -61.06 -38.32 85.77 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -63.32 -39.1 93.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.242 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.54 -40.59 97.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.227 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.355 179.745 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.694 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.6 mt . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 120.619 0.247 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.23 -46.62 79.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 1.9399999999999999 110.349 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.42 -35.88 78.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.19 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.49 HG11 HD11 ' B' ' 58' ' ' LEU . 90.1 t -64.15 -41.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.305 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 4' ' ' LEU . 81.6 t -61.07 -43.85 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.854 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 86.2 mtp -58.91 -41.81 88.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.58 -0.526 . . . . 0.17999999999999999 109.58 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.8 -42.41 97.08 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.01 -43.19 99.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.342 . . . . 0.0 110.342 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.35 -44.58 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.28999999999999998 109.677 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.12 -44.27 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.954 -0.566 . . . . 0.02 109.934 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.4 t-20 -61.11 -46.79 89.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.767 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.8 p -59.8 -43.58 94.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.089 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -41.81 99.33 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -64.22 -43.56 94.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.93 75.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.948 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.597 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 76.4 ttt180 -59.95 -46.81 88.2 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -54.34 -43.76 71.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.66 -42.36 98.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.733 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.551 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -58.95 -50.37 74.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.49 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.5 m-85 -59.84 -41.32 91.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.716 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.2 93.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.725 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.2 86.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.705 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.97 -45.38 94.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.277 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.06 -42.24 76.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.46 -44.03 97.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.879 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.08 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.69 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.67 -31.52 70.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.023 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.95 -3.79 55.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.4 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.28 16.69 68.53 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.01 79.39 2.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.757 0.313 . . . . 0.0 110.331 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.79 -33.6 76.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.644 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.8 74.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.09 79.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.49 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.18 81.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.81 -42.29 98.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.529 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.32 97.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.682 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.7 mtt -65.16 -40.45 94.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.545 ' HE1' HG23 ' B' ' 92' ' ' THR . 90.5 mtp -61.48 -42.94 99.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.635 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.18 -44.0 98.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.48 -41.34 98.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -61.54 -47.31 86.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.455 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.18 -43.27 95.98 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.23 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.15 -43.61 95.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.335 0.588 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.58 95.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.146 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' B' ' 48' ' ' LEU . 90.2 mt -65.1 -40.61 94.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.693 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.95 -42.75 98.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.286 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.35 -39.8 92.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.104 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.461 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.11 -46.37 74.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.467 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.63 -39.68 89.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.089999999999999997 110.25 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.6 mt -60.77 -44.33 96.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.318 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.46 -43.34 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.019 0.438 . . . . 0.0 109.949 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -59.81 -44.66 93.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.245 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.7 m -56.73 -43.04 80.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.059999999999999998 109.988 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.61 -39.87 95.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.86 0.362 . . . . 0.0 110.518 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' B' ' 4' ' ' LEU . 97.3 mt -63.46 -30.6 71.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.677 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.77 -31.69 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.028 -0.533 . . . . 0.040000000000000001 110.813 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.533 179.783 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.413 ' O ' HG23 ' B' ' 75' ' ' VAL . 36.5 p . . . . . 0 N--CA 1.461 0.083 0 CA-C-O 121.049 0.452 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.04 -41.73 92.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.587 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.565 HG13 HG21 ' B' ' 8' ' ' VAL . 64.6 t -63.08 -45.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.607 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.68 -41.28 98.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.145 0.498 . . . . 0.11 110.981 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 71' ' ' SER . 54.8 t -60.36 -47.09 93.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.284 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -58.94 -45.98 89.12 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.819 -0.352 . . . . 1.1100000000000001 110.293 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.38 95.12 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.937 0.398 . . . . 0.059999999999999998 110.434 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -62.84 -40.68 98.18 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.09 -0.505 . . . . 1.0900000000000001 110.228 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 83' ' ' THR . 47.0 tp -56.95 -45.28 82.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.407 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -67.34 -45.97 74.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.39 -0.368 . . . . 0.080000000000000002 110.671 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.9 mt -61.59 -46.12 91.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.829 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.28 -43.39 98.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.243 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.459 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.1 p -63.62 -45.66 89.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.159 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -62.54 -49.92 73.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -57.08 -48.61 78.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.473 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.42 -44.27 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.161 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.77 -48.6 79.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.885 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -59.04 -45.34 90.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.23 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.594 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.7 mt-10 -60.59 -44.65 96.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.127 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.56 -42.97 95.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.498 . . . . 0.0 110.042 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.551 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.1 mt -60.55 -42.56 91.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.187 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.545 HG23 ' HE1' ' B' ' 41' ' ' MET . 5.8 m -57.4 -45.89 84.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.016 0.436 . . . . 0.0 109.845 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.568 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.5 mt-10 -64.27 -42.99 96.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.526 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.59 HD13 ' OE1' ' A' ' 93' ' ' GLU . 68.8 mt -59.36 -43.64 92.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.2 mt -61.14 -42.1 91.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.542 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.99 -39.2 91.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.47 -41.51 98.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.884 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -61.38 -38.45 87.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.79 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -63.18 -39.34 94.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.032 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.44 -40.62 97.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 179.725 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.704 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.5 mt . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.608 0.242 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.33 -46.59 79.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 1.9399999999999999 110.349 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.39 -36.03 78.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.344 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.491 HG11 HD11 ' C' ' 58' ' ' LEU . 89.8 t -63.75 -42.03 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.704 HG23 ' O ' ' C' ' 4' ' ' LEU . 81.9 t -61.07 -43.66 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.971 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 86.8 mtp -59.34 -41.76 89.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.567 -0.531 . . . . 0.17999999999999999 109.567 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.77 -42.16 97.26 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.1 -43.29 98.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.318 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.27 -44.58 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.29999999999999999 109.706 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.9 -44.47 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.006 -0.543 . . . . 0.02 110.081 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.462 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 52.1 t-20 -60.88 -47.48 86.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.778 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.3 p -59.0 -43.88 91.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.169 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.0 -42.3 99.7 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.86 -43.63 95.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.37 -50.17 74.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.732 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.594 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 76.6 ttt180 -60.19 -46.42 89.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.7 m -54.74 -43.66 72.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.51 -42.56 98.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.721 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.555 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.77 -50.28 74.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.482 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.4 m-85 -60.09 -41.34 92.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.513 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.11 93.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.697 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.73 86.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.595 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.42 -44.97 96.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.67 -41.96 78.19 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.63 -43.93 97.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.157 0.504 . . . . 0.0 109.931 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.06 95.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.806 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.92 -31.41 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.108 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.79 -3.73 54.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.436 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.16 17.21 67.54 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.83 79.11 2.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.774 0.321 . . . . 0.0 110.258 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.49 -33.93 77.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.486 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.81 74.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.617 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.29 80.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.23 81.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.473 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.65 -42.55 99.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.641 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.9 98.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.58 -40.25 92.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.614 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.54 ' HE1' HG23 ' C' ' 92' ' ' THR . 90.3 mtp -61.78 -42.71 99.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.703 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.54 -43.63 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.453 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.79 -41.11 97.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.328 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -61.87 -47.1 86.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.455 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.32 -42.98 96.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.332 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 66.0 ttp -60.5 -43.67 96.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.301 0.572 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.6 96.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.392 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.22 -40.62 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.11 -42.32 98.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.306 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.27 -40.24 93.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.982 0.42 . . . . 0.0 110.031 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.462 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.08 -46.41 74.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.438 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.43 -39.67 88.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.089999999999999997 110.325 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.98 -44.28 97.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.26 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.13 -43.36 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.025 0.441 . . . . 0.0 109.951 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.409 HE22 HD23 ' C' ' 74' ' ' LEU . 67.2 tp60 -59.98 -44.77 94.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.276 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.899 HG21 HG22 ' D' ' 356' ' ' THR . 17.5 m -56.49 -42.94 79.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.059999999999999998 110.141 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.85 -39.75 95.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.509 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.491 HD11 HG11 ' C' ' 7' ' ' VAL . 97.3 mt -63.45 -30.71 71.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.71 -31.65 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.059999999999999998 110.76 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.541 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.418 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.671 0.272 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.562 HG13 HG21 ' C' ' 8' ' ' VAL . 57.0 t -64.19 -45.6 95.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 130.115 3.366 . . . . 0.0 110.608 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.409 HD23 HE22 ' C' ' 55' ' ' GLN . 83.6 mt -65.8 -41.1 92.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.11 110.966 177.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.47 -47.71 91.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.803 -0.635 . . . . 0.40000000000000002 110.235 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -58.78 -46.02 88.49 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.901 -0.32 . . . . 1.02 110.34 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.49 94.89 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.843 0.354 . . . . 0.059999999999999998 110.377 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -62.77 -40.51 97.5 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.211 -0.45 . . . . 1.0900000000000001 110.241 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.453 ' O ' HG23 ' C' ' 83' ' ' THR . 45.1 tp -57.04 -45.5 83.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.481 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -67.37 -45.7 75.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.334 -0.394 . . . . 0.080000000000000002 110.732 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.8 -46.01 91.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.844 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.34 -43.18 99.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.383 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.453 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -63.9 -45.61 88.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.143 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 77.3 p -62.68 -49.73 73.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.618 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.04 -48.58 78.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.521 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.2 tp -61.68 -44.06 97.66 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.132 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.6 79.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -58.95 -45.52 90.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.2 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.29 -44.8 95.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.104 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.65 -42.86 95.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.191 0.52 . . . . 0.0 110.02 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.555 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.3 mt -60.69 -42.51 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.365 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.54 HG23 ' HE1' ' C' ' 41' ' ' MET . 5.9 m -57.32 -45.81 83.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.041 0.448 . . . . 0.0 109.976 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.44 -42.88 95.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.488 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.568 HD13 ' OE1' ' B' ' 93' ' ' GLU . 70.0 mt -59.26 -43.91 92.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.79 -42.36 92.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.638 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -61.64 -39.39 91.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.737 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.24 -41.76 98.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.864 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -61.13 -38.54 86.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.737 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.4 tm-20 -63.07 -39.28 94.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.149 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.45 -40.67 97.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.199 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.6 -41.98 95.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.335 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 102' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' C' ' 99' ' ' GLU . 54.7 mtpt -89.2 141.61 28.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.47 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 103' ' ' ALA . . . . . 0.436 ' OXT' ' O ' ' C' ' 102' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.585 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.866 0.841 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.76 143.02 36.74 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.33 38.63 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.042 -1.036 . . . . 0.0 109.513 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.14 149.23 28.55 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.28 19.02 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.04 -1.037 . . . . 0.0 108.408 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.71 144.43 19.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.74 136.49 37.2 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.116 0.96 . . . . 0.0 110.18 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.4 mt -84.83 114.28 24.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.86 -4.32 19.36 Favored 'General case' 0 C--N 1.265 -3.078 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.818 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.48 141.84 85.9 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 119.717 -1.864 . . . . 0.0 110.616 178.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.53 -47.7 12.91 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 124.753 3.636 . . . . 0.0 114.124 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -102.1 27.6 6.5 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 116.085 -2.246 . . . . 0.0 108.836 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.91 -124.53 23.73 Favored Glycine 0 N--CA 1.497 2.755 0 C-N-CA 117.605 -2.236 . . . . 0.0 109.627 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 78.08 1.81 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.938 -1.331 . . . . 0.0 109.519 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -84.78 176.58 8.43 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.831 -1.548 . . . . 0.0 112.151 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 7.5 p -22.48 -69.24 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 117.308 2.336 . . . . 0.0 117.308 -176.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.563 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 10.4 ttt-85 -46.37 -65.96 0.6 Allowed Pre-proline 0 N--CA 1.493 1.694 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.498 -177.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.35 -32.13 61.51 Favored 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.464 1.443 . . . . 0.0 111.519 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.51 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.93 -39.03 87.22 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.221 -0.924 . . . . 0.0 109.469 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.88 -39.65 72.72 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -64.04 -39.37 93.94 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.463 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.73 -45.34 93.2 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.561 1.172 . . . . 0.0 108.675 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 319' ' ' ALA . 64.5 t -62.53 -42.28 95.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.255 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.768 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -63.82 -40.33 96.36 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.225 -0.922 . . . . 0.0 109.778 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.75 -39.72 80.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.485 -0.759 . . . . 0.0 109.595 177.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.95 91.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.525 -1.359 . . . . 0.0 109.425 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.44 -16.15 44.1 Favored 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.96 -10.48 86.19 Favored Glycine 0 N--CA 1.478 1.5 0 O-C-N 119.913 -1.742 . . . . 0.0 109.319 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.48 143.29 32.91 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.233 -1.745 . . . . 0.0 110.013 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.2 p -75.56 -30.03 59.56 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.233 -0.917 . . . . 0.0 112.377 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.76 158.52 10.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 119.857 -1.777 . . . . 0.0 112.828 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.28 35.46 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 102.877 -3.009 . . . . 0.0 102.877 171.194 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.72 136.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.441 0 CA-C-O 122.178 0.99 . . . . 0.0 109.289 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -125.02 143.14 51.06 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-O 123.142 1.449 . . . . 0.0 110.002 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.05 129.89 61.48 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.724 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 173.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.2 m -127.47 119.51 26.27 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.887 -1.133 . . . . 0.0 108.888 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.53 122.62 39.33 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.563 -0.711 . . . . 0.0 109.887 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.75 38.93 24.34 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.962 -1.086 . . . . 0.0 112.78 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 10.96 83.59 Favored Glycine 0 N--CA 1.501 3.019 0 O-C-N 119.957 -1.714 . . . . 0.0 112.565 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.27 54.56 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 177.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.71 158.6 32.83 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-O 123.801 1.762 . . . . 0.0 112.432 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.38 31.3 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 112.451 -2.159 . . . . 0.0 108.582 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.62 136.01 48.84 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 173.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.428 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.0 -6.77 47.68 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.732 -1.23 . . . . 0.0 110.703 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.89 31.79 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.669 -1.27 . . . . 0.0 109.358 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.0 t -133.05 104.13 6.38 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 122.15 0.976 . . . . 0.0 110.135 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.17 -37.87 72.77 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.002 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -58.93 -51.32 70.56 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.577 -1.327 . . . . 0.0 113.042 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.44 70.52 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 119.516 -1.99 . . . . 0.0 109.218 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.78 -33.78 75.89 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 118.998 -1.081 . . . . 0.0 109.918 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.541 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.66 -10.44 52.29 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.601 -0.687 . . . . 0.0 109.888 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 42.7 p -89.78 -7.74 53.73 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 118.099 -1.441 . . . . 0.0 110.95 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.29 159.25 15.35 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.195 -0.941 . . . . 0.0 110.212 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.86 2.96 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.59 47.41 1.72 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.631 -1.511 . . . . 0.0 107.43 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.899 HG22 HG21 ' C' ' 56' ' ' THR . 4.2 p -81.38 172.5 13.48 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.822 -1.151 . . . . 0.0 109.251 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.7 140.91 57.33 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.922 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.17 78.89 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 119.941 -1.123 . . . . 0.0 111.332 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.51 135.89 34.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.87 -1.37 . . . . 0.0 110.633 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.48 123.73 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.486 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.14 160.1 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.39 -1.724 . . . . 0.0 110.687 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.95 128.32 54.83 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.512 -1.367 . . . . 0.0 107.591 175.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.7 mt -107.81 121.38 60.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 176.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.31 50.7 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.47 -1.292 . . . . 0.0 109.714 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.81 6.42 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 118.513 -1.275 . . . . 0.0 108.041 178.115 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.29 40.16 Favored Glycine 0 C--N 1.296 -1.694 0 C-N-CA 118.024 -2.036 . . . . 0.0 110.411 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.38 -40.64 82.85 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 114.439 -0.881 . . . . 0.0 112.205 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.05 36.82 3.53 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 115.875 -2.33 . . . . 0.0 108.53 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.35 -33.61 65.82 Favored 'General case' 0 N--CA 1.52 3.074 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.437 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.68 27.55 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.633 -1.917 . . . . 0.0 111.0 -176.602 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.775 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.76 97.95 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.5 77.65 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 117.415 -1.714 . . . . 0.0 110.079 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.75 -42.3 89.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 122.24 1.019 . . . . 0.0 109.317 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.85 -47.86 76.54 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-O 122.048 0.928 . . . . 0.0 108.814 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.775 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.81 -38.36 76.56 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.699 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.53 -28.67 59.17 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.352 -1.468 . . . . 0.0 110.885 -174.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.83 -49.23 63.32 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.36 -45.2 84.63 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.513 177.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.486 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.32 85.27 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.96 -1.088 . . . . 0.0 111.518 -177.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.88 61.67 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.144 -0.972 . . . . 0.0 110.279 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.84 -32.38 46.1 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 111.325 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.03 125.52 12.31 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 124.251 1.977 . . . . 0.0 112.922 178.707 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.818 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.6 mm-40 . . . . . 0 C--N 1.277 -2.557 0 CA-C-N 111.096 -2.775 . . . . 0.0 110.082 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.0 mt . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.26 -45.94 82.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.941 0.4 . . . . 1.9399999999999999 110.257 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -68.76 -36.78 78.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.547 HG11 HD11 ' A' ' 58' ' ' LEU . 90.3 t -63.64 -42.86 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.38 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 4' ' ' LEU . 91.1 t -60.84 -43.82 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.924 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.54 ' CE ' HD22 ' D' ' 347' ' ' LEU . 89.5 mtp -59.47 -42.18 91.44 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.523 -0.547 . . . . 0.17999999999999999 109.523 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.62 -42.08 98.88 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.276 -1.129 . . . . 0.0 110.276 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.431 HD13 ' OE1' ' A' ' 55' ' ' GLN . 37.2 mt -62.88 -42.54 99.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.824 0.345 . . . . 0.0 110.23 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.4 -43.89 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.944 -0.571 . . . . 0.20000000000000001 109.759 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.553 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.0 mt -63.68 -44.6 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 0.01 109.973 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.05 -45.78 92.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.747 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.0 t -61.52 -44.2 97.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.969 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.69 -44.32 96.54 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.487 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.0 mm-40 -62.9 -45.55 92.0 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.29 82.16 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.578 ' NH2' ' OG1' ' A' ' 83' ' ' THR . 43.4 ttm180 -60.14 -47.21 86.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.0 p -56.43 -42.98 78.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.72 -41.95 99.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.718 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.584 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -57.05 -48.75 77.79 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -60.78 -40.44 92.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.581 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.12 94.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.786 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.76 91.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.702 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.86 -45.01 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.453 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -55.55 -42.14 74.21 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.41 -41.21 96.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.755 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.56 95.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.695 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.55 -29.09 69.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.168 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -80.81 -4.54 55.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.456 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 15.39 68.1 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -99.59 79.36 2.25 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.771 0.319 . . . . 0.0 110.333 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.72 -34.3 78.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.661 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.37 79.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 110.73 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.87 82.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.72 82.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.594 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.48 -43.43 98.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.74 98.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.33 -42.41 92.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.503 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.53 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.4 mtm -64.1 -40.22 95.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.635 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.08 -46.41 89.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.006 0.431 . . . . 0.0 110.593 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.02 -41.65 97.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.208 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 m -60.88 -45.6 93.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -60.35 -42.38 95.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.292 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.44 -41.55 97.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.227 0.537 . . . . 0.0 110.567 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.67 97.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.185 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.59 -39.54 91.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.62 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 51.3 t-20 -59.81 -42.92 94.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.286 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.82 -39.66 91.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.23 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.01 -45.79 80.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.49 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -61.64 -38.08 86.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.026 -0.534 . . . . 0.089999999999999997 110.361 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.9 mt -60.26 -43.54 96.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.0 -43.1 96.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 110.064 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.431 ' OE1' HD13 ' A' ' 11' ' ' LEU . 46.9 tp60 -60.15 -44.11 95.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.24 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.4 m -57.03 -42.66 80.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.059999999999999998 110.056 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.24 -39.49 86.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.482 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.547 HD22 HD22 ' A' ' 4' ' ' LEU . 95.8 mt -69.4 -39.37 77.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.645 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.55 -39.93 83.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.050000000000000003 110.843 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.503 -179.305 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.484 HD11 HG21 ' C' ' 75' ' ' VAL . 55.6 tp -56.86 -42.29 79.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.668 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.481 ' CG1' HG21 ' A' ' 8' ' ' VAL . 71.6 t -63.35 -45.39 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.856 0.36 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.06 -41.02 97.7 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.014 0.435 . . . . 0.11 110.892 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.46 HG21 HD11 ' B' ' 72' ' ' LEU . 42.6 t -59.97 -47.53 91.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.807 -0.633 . . . . 0.38 110.218 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.78 -46.12 88.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.819 0.342 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.21 99.35 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.814 0.34 . . . . 0.059999999999999998 110.714 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.64 -38.49 90.47 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.112 -0.495 . . . . 1.0900000000000001 110.125 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 83' ' ' THR . 39.0 tp -56.89 -47.13 81.2 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.361 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -68.3 -46.39 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.738 -0.385 . . . . 0.080000000000000002 110.768 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.57 -46.41 90.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.844 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.33 -43.54 98.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.187 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.578 ' OG1' ' NH2' ' A' ' 19' ' ' ARG . 23.7 p -62.11 -45.05 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.15 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -61.8 -49.07 77.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 54.2 ttp -57.42 -47.42 81.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.546 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.16 -44.92 96.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.922 0.392 . . . . 0.0 110.163 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.14 86.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.837 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -57.66 -46.72 83.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.105 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.408 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 98.3 mt-10 -61.57 -43.08 99.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.061 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.46 -42.84 91.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.127 0.489 . . . . 0.0 109.821 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.584 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 74.7 mt -61.04 -42.34 92.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.349 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.5 m -58.47 -45.23 89.03 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.5 mt-10 -64.11 -43.43 95.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.594 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.53 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 76.5 mt -59.13 -43.75 92.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.53 HD12 ' SD ' ' A' ' 41' ' ' MET . 87.0 mt -60.88 -42.95 94.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.514 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -60.7 -40.21 91.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.49 -41.82 99.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.884 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.9 m80 -59.57 -40.19 86.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.98 -40.42 93.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.185 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.59 -34.49 78.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.201 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.373 179.621 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.693 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.0 mt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.593 0.235 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.61 -45.65 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 1.9399999999999999 110.359 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -68.61 -37.0 79.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.24 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.553 HG11 HD11 ' B' ' 58' ' ' LEU . 87.7 t -63.59 -42.85 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.406 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.693 HG23 ' O ' ' B' ' 4' ' ' LEU . 89.5 t -60.78 -43.9 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.89 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.53 -42.04 91.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.586 -0.524 . . . . 0.17999999999999999 109.586 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.06 98.71 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 11' ' ' LEU . 37.7 mt -62.69 -42.66 99.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 110.309 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.37 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.545 . . . . 0.28999999999999998 109.704 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.51 -44.74 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.537 . . . . 0.02 109.912 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.1 -45.73 92.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.834 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -61.55 -43.97 97.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.125 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.09 96.56 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.1 mm-40 -63.13 -45.06 93.74 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.14 82.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.952 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.571 ' NH2' ' OG1' ' B' ' 83' ' ' THR . 43.6 ttm180 -60.25 -46.88 88.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.1 p -57.04 -42.89 81.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.66 -41.96 99.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.755 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -57.29 -48.67 78.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.408 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.7 m-85 -60.79 -40.46 92.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.717 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.05 93.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.753 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.12 91.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.602 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.55 -44.99 96.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.295 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -55.77 -42.14 75.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.21 -41.2 96.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.863 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.84 96.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.733 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.26 -29.2 69.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.026 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -80.95 -4.52 55.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.7 15.6 67.72 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -99.74 79.05 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.812 0.339 . . . . 0.0 110.374 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -64.62 -34.09 77.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.593 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.66 78.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.56 81.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.384 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.98 -47.5 82.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.59 -43.51 98.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 0.0 110.558 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.9 98.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.38 -42.37 92.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.522 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.3 mtm -63.96 -40.69 97.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.505 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.91 -46.34 89.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.51 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -63.83 -41.64 97.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.315 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -61.2 -45.35 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.474 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -60.39 -42.37 95.74 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.233 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 59.7 mtt -61.56 -41.45 97.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.278 0.561 . . . . 0.0 110.691 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.13 97.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.114 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.34 -39.4 92.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.739 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -60.1 -42.97 95.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.342 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.58 -39.85 92.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.175 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.8 -46.1 79.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.498 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -61.34 -38.08 85.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.089999999999999997 110.306 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.9 mt -60.32 -43.47 96.34 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.32 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.92 -43.41 96.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.063 0.459 . . . . 0.0 109.976 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.422 ' OE1' HD13 ' B' ' 11' ' ' LEU . 46.7 tp60 -59.94 -44.18 94.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.225 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 11.7 m -56.9 -43.21 81.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.059999999999999998 109.981 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.9 -39.59 85.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.87 0.367 . . . . 0.0 110.532 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.561 HD22 HD22 ' B' ' 4' ' ' LEU . 96.1 mt -69.42 -39.13 78.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.668 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.0 mt -67.66 -39.75 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.09 -0.505 . . . . 0.040000000000000001 110.742 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.461 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 95.2 p . . . . . 0 CA--C 1.524 -0.037 0 CA-C-O 121.05 0.452 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 75' ' ' VAL . 60.5 tp -59.39 -41.96 90.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.571 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.469 ' CG1' HG21 ' B' ' 8' ' ' VAL . 65.7 t -62.71 -44.7 99.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.585 -178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.38 -41.12 98.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.11 110.959 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.442 HG21 HD11 ' C' ' 72' ' ' LEU . 43.7 t -59.87 -46.52 93.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.768 -0.651 . . . . 0.38 110.285 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -59.57 -46.06 90.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.91 -0.316 . . . . 1.1100000000000001 110.325 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.07 99.77 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.911 0.386 . . . . 0.059999999999999998 110.439 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.42 -38.64 90.46 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.141 -0.481 . . . . 1.0900000000000001 110.259 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 83' ' ' THR . 36.1 tp -56.83 -47.37 80.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.405 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -68.03 -46.35 71.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.080000000000000002 110.733 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.71 -46.35 90.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.772 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.34 -43.56 98.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.186 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.571 ' OG1' ' NH2' ' B' ' 19' ' ' ARG . 22.7 p -62.07 -44.86 95.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.155 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -61.79 -49.1 77.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.574 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 55.0 ttp -57.6 -47.18 82.85 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.453 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.39 -45.06 95.95 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.106 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.22 85.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.871 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.77 -46.56 84.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.322 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.451 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 98.6 mt-10 -61.36 -43.24 99.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.133 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.49 -43.01 91.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.113 0.483 . . . . 0.0 109.968 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.571 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 75.6 mt -60.81 -42.54 92.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.172 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 76.5 m -58.41 -45.27 88.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.084 0.469 . . . . 0.0 109.918 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.54 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.0 mt-10 -64.04 -43.54 95.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.475 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.4 mt -58.96 -43.63 91.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.522 HD12 ' SD ' ' B' ' 41' ' ' MET . 86.0 mt -61.12 -42.61 93.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.516 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -60.98 -40.19 92.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.723 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.66 -42.0 99.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.833 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.8 m80 -59.17 -40.29 85.15 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.05 -40.38 93.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.124 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.53 -34.4 78.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.192 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 53.9 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.317 179.671 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.691 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.8 mt . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.576 0.227 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.34 -45.84 82.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 1.9399999999999999 110.429 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -68.45 -37.02 79.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.375 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.549 HG11 HD11 ' C' ' 58' ' ' LEU . 90.3 t -63.57 -43.03 98.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.379 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.691 HG23 ' O ' ' C' ' 4' ' ' LEU . 88.2 t -60.66 -43.81 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.031 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.52 -42.29 91.91 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.558 -0.534 . . . . 0.17999999999999999 109.558 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.5 -42.31 98.98 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' C' ' 11' ' ' LEU . 38.1 mt -62.49 -42.44 99.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 110.417 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.52 -43.96 98.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.29999999999999999 109.677 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.56 -44.75 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.509 . . . . 0.02 110.083 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.0 -45.68 92.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.783 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -61.49 -44.41 97.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.171 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.61 -44.09 97.0 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' GLN . . . . . 0.491 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -62.97 -45.47 92.29 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.28 -48.53 81.28 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.571 ' NH2' ' OG1' ' C' ' 83' ' ' THR . 43.7 ttm180 -59.86 -46.98 87.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.3 p -57.1 -42.7 81.28 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.75 -41.89 99.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.708 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -57.24 -48.69 78.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.433 0.635 . . . . 0.0 109.327 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.451 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -60.87 -40.13 91.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.558 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.89 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.715 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.14 91.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.584 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.56 -44.83 96.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.41 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -55.96 -41.59 74.94 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.87 -40.57 95.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.895 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.41 97.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.785 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.95 -28.99 69.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.049 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -80.6 -4.9 55.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.94 15.38 67.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -99.54 79.11 2.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.776 0.322 . . . . 0.0 110.267 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.61 -33.97 77.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.54 78.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.081 0.467 . . . . 0.0 110.7 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.07 79.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.384 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.47 81.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.452 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.64 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.567 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.31 99.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.04 -42.14 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.524 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.528 ' SD ' HD12 ' C' ' 95' ' ' ILE . 74.4 mtm -64.2 -40.17 95.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.591 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.4 -46.57 88.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.431 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.78 -41.49 97.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.326 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -61.01 -45.57 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.547 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -60.34 -42.54 95.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.349 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.27 -41.63 97.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.34 0.59 . . . . 0.0 110.527 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.81 98.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.278 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.65 -39.66 91.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.665 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -59.98 -42.82 95.03 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.413 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.48 -39.96 92.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.013 0.435 . . . . 0.0 110.057 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.96 80.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.423 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.577 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 62.7 t-80 -61.53 -37.84 85.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.536 . . . . 0.089999999999999997 110.346 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.54 -43.12 97.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.291 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.09 -43.17 95.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.06 0.457 . . . . 0.0 110.023 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.436 ' OE1' HD13 ' C' ' 11' ' ' LEU . 46.6 tp60 -60.41 -44.12 96.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.249 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.827 HG21 HG22 ' D' ' 356' ' ' THR . 10.8 m -57.0 -42.92 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.059999999999999998 110.12 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.78 -39.83 86.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.507 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.564 HD22 HD22 ' C' ' 4' ' ' LEU . 96.3 mt -69.1 -39.42 79.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.35 -39.83 83.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.059999999999999998 110.849 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.533 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.442 HD11 HG21 ' B' ' 75' ' ' VAL . 51.1 tp . . . . . 0 CA--C 1.519 -0.237 0 CA-C-O 120.639 0.257 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 63.6 t -62.88 -45.05 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 130.194 3.397 . . . . 0.0 110.584 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.42 -40.9 96.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.115 0.483 . . . . 0.11 111.051 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.484 HG21 HD11 ' A' ' 72' ' ' LEU . 44.5 t -59.99 -47.54 91.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.732 -0.667 . . . . 0.40000000000000002 110.175 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -59.24 -46.27 88.93 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.871 -0.332 . . . . 1.02 110.307 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.51 98.64 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.935 0.398 . . . . 0.059999999999999998 110.421 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.04 -38.71 89.74 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.269 -0.423 . . . . 1.0900000000000001 110.24 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.548 ' O ' HG23 ' C' ' 83' ' ' THR . 36.2 tp -56.68 -47.39 79.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.429 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.406 ' O ' ' OG1' ' C' ' 83' ' ' THR . 51.5 m80 -68.13 -46.33 71.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.312 -0.404 . . . . 0.080000000000000002 110.748 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.64 -46.43 90.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.16 -43.23 99.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.448 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.571 ' OG1' ' NH2' ' C' ' 19' ' ' ARG . 23.1 p -62.5 -45.02 94.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.173 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -61.64 -49.01 78.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 54.6 ttp -57.39 -47.47 81.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.53 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.23 -45.04 96.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.003 0.43 . . . . 0.0 110.208 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.23 85.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.979 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.9 -46.7 84.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.246 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.0 -43.39 98.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.959 0.409 . . . . 0.0 110.178 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.42 -43.01 91.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.196 0.522 . . . . 0.0 109.957 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.569 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 75.3 mt -60.76 -42.68 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.342 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 77.7 m -58.29 -44.95 88.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.114 0.483 . . . . 0.0 109.975 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.41 -43.33 94.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.54 HD13 ' OE1' ' B' ' 93' ' ' GLU . 75.5 mt -59.14 -43.58 92.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.528 HD12 ' SD ' ' C' ' 41' ' ' MET . 86.3 mt -60.9 -42.82 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.624 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -60.68 -40.18 91.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.743 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.7 -41.97 99.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.871 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.6 m80 -59.4 -40.34 86.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.728 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.89 -40.41 92.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.161 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.44 -34.43 78.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.28 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 mt -81.68 -3.69 54.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.341 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 56.85 22.84 7.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.448 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.519 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.947 0.879 . . . . 0.0 108.891 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.5 t80 -139.82 143.0 36.61 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.4 38.8 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.012 -1.055 . . . . 0.0 109.534 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.22 149.2 28.47 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.23 152.35 18.93 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.04 -1.037 . . . . 0.0 108.389 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.43 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.77 136.62 37.06 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.19 0.995 . . . . 0.0 110.108 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.87 114.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.93 -4.15 19.42 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.819 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.58 141.81 85.63 Favored Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 119.684 -1.885 . . . . 0.0 110.62 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.5 -47.62 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 124.733 3.622 . . . . 0.0 114.145 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.577 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 89.3 m-20 -102.26 27.64 6.55 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 116.062 -2.255 . . . . 0.0 108.734 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 70.11 -115.69 6.27 Favored Glycine 0 N--CA 1.496 2.699 0 C-N-CA 117.617 -2.23 . . . . 0.0 109.569 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.75 HD11 HD23 ' D' ' 384' ' ' LEU . 4.5 tp -138.2 58.63 1.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.937 -1.331 . . . . 0.0 109.517 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -60.09 172.63 0.76 Allowed 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 117.864 -1.535 . . . . 0.0 112.158 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 32.0 p -30.13 -68.34 0.08 Allowed 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -176.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -39.07 -65.38 0.4 Allowed Pre-proline 0 N--CA 1.493 1.687 0 C-N-CA 120.077 -0.649 . . . . 0.0 112.547 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.94 -32.17 55.0 Favored 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 121.643 1.562 . . . . 0.0 111.468 175.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.501 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.83 86.66 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.462 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.553 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.97 -39.71 72.35 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.92 -39.41 94.1 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.443 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.72 -45.28 93.49 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 122.554 1.169 . . . . 0.0 108.677 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 319' ' ' ALA . 62.6 t -62.71 -42.23 95.36 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.684 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -63.84 -40.25 96.15 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.212 -0.93 . . . . 0.0 109.774 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.81 -39.74 79.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.368 -0.832 . . . . 0.0 109.567 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.03 91.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.682 -1.261 . . . . 0.0 109.418 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.24 -16.28 43.53 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.88 -10.63 86.04 Favored Glycine 0 N--CA 1.479 1.542 0 O-C-N 119.92 -1.737 . . . . 0.0 109.307 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.45 143.29 32.91 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.249 -1.736 . . . . 0.0 110.016 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.3 p -75.57 -30.03 59.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.264 -0.897 . . . . 0.0 112.363 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.77 158.56 10.17 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 119.752 -1.843 . . . . 0.0 112.806 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.99 130.21 35.29 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 102.869 -3.012 . . . . 0.0 102.869 171.256 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.68 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.436 0 CA-C-O 122.219 1.009 . . . . 0.0 109.285 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.96 143.15 51.03 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 123.104 1.431 . . . . 0.0 109.994 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.9 t -108.03 129.95 61.35 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.765 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 173.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.47 119.6 26.47 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.893 -1.129 . . . . 0.0 108.946 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.63 122.56 39.11 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.592 -0.693 . . . . 0.0 109.863 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.68 39.04 24.37 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.877 -1.139 . . . . 0.0 112.786 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.65 11.0 83.57 Favored Glycine 0 N--CA 1.503 3.128 0 O-C-N 119.972 -1.705 . . . . 0.0 112.515 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.3 54.54 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.81 158.53 33.16 Favored 'General case' 0 C--N 1.275 -2.64 0 CA-C-O 123.849 1.785 . . . . 0.0 112.403 -175.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.3 31.26 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-N 112.461 -2.154 . . . . 0.0 108.651 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.54 135.98 48.96 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 173.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.96 -6.85 48.05 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.68 -1.263 . . . . 0.0 110.72 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.4 12.93 31.48 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.684 -1.26 . . . . 0.0 109.372 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.5 t -133.07 104.1 6.35 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 122.163 0.982 . . . . 0.0 110.199 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.54 HD22 ' CE ' ' A' ' 9' ' ' MET . 44.8 tp -57.15 -37.98 72.84 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.907 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -58.89 -51.38 70.3 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.635 -1.29 . . . . 0.0 113.033 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.08 -32.41 70.46 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 119.522 -1.986 . . . . 0.0 109.245 -178.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.84 -33.7 75.8 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.937 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.533 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.6 -10.57 53.19 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.645 -0.659 . . . . 0.0 109.94 -177.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.7 p -89.68 -7.71 54.0 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 118.159 -1.417 . . . . 0.0 110.908 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.8 mt -93.44 159.35 15.28 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.209 -0.932 . . . . 0.0 110.08 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.81 2.97 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.1 mt -119.6 47.48 1.7 Allowed 'General case' 0 C--N 1.309 -1.185 0 O-C-N 120.714 -1.462 . . . . 0.0 107.405 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.827 HG22 HG21 ' C' ' 56' ' ' THR . 2.6 p -81.46 172.49 13.46 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.886 -1.126 . . . . 0.0 109.197 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -60.66 140.92 57.29 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.857 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.19 79.06 Favored Glycine 0 N--CA 1.5 2.93 0 C-N-CA 120.015 -1.088 . . . . 0.0 111.387 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.39 135.88 34.1 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 120.891 -1.358 . . . . 0.0 110.663 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.3 t -96.53 123.65 48.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.09 160.08 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 117.402 -1.719 . . . . 0.0 110.66 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 87.1 m -108.84 128.33 54.81 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 120.483 -1.385 . . . . 0.0 107.668 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.2 mt -107.84 121.36 60.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.421 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.64 147.22 50.72 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.67 153.5 47.29 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 118.482 -1.287 . . . . 0.0 109.773 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.29 110.73 6.37 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 118.547 -1.261 . . . . 0.0 108.085 178.175 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.29 -170.26 40.16 Favored Glycine 0 C--N 1.296 -1.69 0 C-N-CA 117.982 -2.056 . . . . 0.0 110.333 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.58 82.96 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-N 114.389 -0.905 . . . . 0.0 112.159 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.99 36.62 3.61 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 115.921 -2.311 . . . . 0.0 108.569 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.49 65.67 Favored 'General case' 0 N--CA 1.521 3.119 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.61 27.32 Favored 'General case' 0 N--CA 1.508 2.47 0 O-C-N 119.544 -1.973 . . . . 0.0 111.022 -176.61 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.782 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.66 97.65 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.25 -49.48 77.66 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 117.518 -1.673 . . . . 0.0 110.014 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.79 -42.28 89.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-O 122.214 1.007 . . . . 0.0 109.279 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.77 -47.97 76.11 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.078 0.942 . . . . 0.0 108.792 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.782 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.75 -38.3 76.76 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.738 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.64 -28.62 58.86 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.428 -1.42 . . . . 0.0 110.875 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.45 -39.46 71.22 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.97 -49.2 63.1 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.21 -45.24 84.01 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 118.974 -1.09 . . . . 0.0 110.523 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.41 -37.31 85.31 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.836 -1.165 . . . . 0.0 111.56 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.81 61.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.026 -1.046 . . . . 0.0 110.295 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.92 -32.21 45.52 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.564 -0.71 . . . . 0.0 111.347 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.75 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.08 125.46 12.25 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 124.313 2.006 . . . . 0.0 112.913 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.819 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.6 mm-40 . . . . . 0 C--N 1.277 -2.578 0 CA-C-N 111.088 -2.778 . . . . 0.0 110.166 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 8' ' ' VAL . 58.1 mt . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -63.37 -48.26 78.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.917 0.389 . . . . 1.9399999999999999 110.28 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.32 -34.63 78.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.259 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.81 -42.44 95.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.357 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 4' ' ' LEU . 93.7 t -61.42 -44.1 97.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.964 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.2 mtp -59.1 -41.85 89.1 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.499 -0.556 . . . . 0.17999999999999999 109.499 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.44 98.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 11' ' ' LEU . 34.8 mt -63.31 -42.4 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.235 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.93 -44.61 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.20000000000000001 109.799 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.31 -43.96 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.513 . . . . 0.01 109.959 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.8 -46.03 92.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.771 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 m -59.64 -43.89 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.902 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.06 -42.36 99.6 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.4 mm-40 -63.04 -44.06 96.94 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.22 -48.57 81.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.545 HH12 ' HB2' ' A' ' 87' ' ' ALA . 63.8 ttm-85 -61.15 -46.61 89.85 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 77.9 p -56.01 -43.64 77.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.25 -41.47 98.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.679 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.627 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -56.86 -47.97 79.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -59.39 -40.6 87.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.575 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.37 87.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.734 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -43.05 90.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.674 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.05 -45.17 94.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.449 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.8 -42.56 71.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.56 -41.8 90.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.771 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.44 94.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.69 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.5 -31.01 70.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.166 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.58 -5.02 59.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.47 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.33 17.53 73.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -97.78 81.12 2.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.761 0.315 . . . . 0.0 110.252 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -64.36 -33.63 76.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.22 80.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.031 0.443 . . . . 0.0 110.748 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.51 81.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.06 81.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.02 -41.75 98.42 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.578 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.68 99.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.747 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.1 mtt -65.7 -41.97 91.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.411 ' SD ' HG23 ' A' ' 92' ' ' THR . 72.1 mtm -63.81 -41.28 97.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.61 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.37 -45.45 93.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.04 0.448 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.04 -41.65 97.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.257 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.0 m -60.38 -46.23 90.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.525 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.89 -42.23 97.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.327 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.03 -42.47 99.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.214 0.53 . . . . 0.0 110.58 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.28 98.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.15 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.0 mt -65.0 -39.67 93.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.655 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -60.49 -42.11 95.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.211 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.58 -40.99 93.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.169 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.57 89.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.511 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -63.54 -37.6 87.92 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.058 -0.519 . . . . 0.089999999999999997 110.405 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.3 mt -60.64 -44.48 96.35 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.33 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.31 -42.59 94.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.069 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.437 HE22 HD23 ' A' ' 74' ' ' LEU . 66.6 tp60 -59.46 -44.21 93.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.279 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 m -56.74 -41.97 78.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.059999999999999998 110.028 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.84 -40.07 91.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.962 0.41 . . . . 0.0 110.582 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.68 -38.38 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.658 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.8 mt -71.08 -38.21 70.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.516 . . . . 0.050000000000000003 110.86 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.435 -179.168 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.0 p . . . . . 0 C--O 1.226 -0.138 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.562 ' HG ' HD21 ' B' ' 72' ' ' LEU . 25.8 mt -57.41 -45.77 84.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.552 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.541 HG13 HG21 ' A' ' 8' ' ' VAL . 74.0 t -64.84 -46.16 92.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.543 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.437 HD23 HE22 ' A' ' 55' ' ' GLN . 83.3 mt -63.24 -41.78 99.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.005 0.431 . . . . 0.11 110.916 -178.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 71' ' ' SER . 55.5 t -59.77 -47.48 91.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.805 -0.634 . . . . 0.38 110.191 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -58.94 -45.8 89.56 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.314 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.3 94.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.502 -0.317 . . . . 0.059999999999999998 110.668 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.31 -40.17 95.42 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.176 -0.465 . . . . 1.0900000000000001 110.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 83' ' ' THR . 45.6 tp -57.0 -46.87 81.99 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.423 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -68.11 -46.4 71.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.334 -0.394 . . . . 0.080000000000000002 110.686 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.94 -46.69 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.741 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.86 -43.11 99.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.216 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.6 p -63.99 -48.62 75.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.094 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.6 m -61.19 -49.36 77.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.471 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.9 ttp -57.5 -48.12 80.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.526 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.03 -45.06 95.24 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.027 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.545 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -58.77 -47.94 82.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.819 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -57.9 -45.26 86.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.163 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.478 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.2 mt-10 -62.0 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.111 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.49 -43.61 93.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 109.844 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.627 HD12 ' HB1' ' A' ' 22' ' ' ALA . 80.4 mt -60.38 -42.3 90.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.323 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.411 HG23 ' SD ' ' A' ' 41' ' ' MET . 74.3 m -57.73 -45.19 86.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.028 0.442 . . . . 0.0 109.897 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.95 -44.22 93.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.608 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.578 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.9 mt -59.22 -44.01 92.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.39 -42.65 94.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.441 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.25 -40.55 94.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.426 HD21 ' NE2' ' B' ' 98' ' ' HIS . 35.5 mt -62.31 -41.83 98.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.864 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 66.6 m80 -60.22 -40.56 90.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.85 -38.78 92.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.177 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -63.51 -40.79 97.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.147 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.428 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.583 ' O ' HG23 ' B' ' 8' ' ' VAL . 58.0 mt . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.35 -48.25 78.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.879 0.371 . . . . 1.9399999999999999 110.319 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -66.22 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.165 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.98 -42.54 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.357 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 4' ' ' LEU . 92.9 t -61.37 -43.97 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.901 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -59.11 -41.93 89.34 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.589 -0.522 . . . . 0.17999999999999999 109.589 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.16 -42.1 98.13 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 11' ' ' LEU . 36.3 mt -62.76 -42.69 99.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.769 0.319 . . . . 0.0 110.339 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.96 -44.13 99.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.28999999999999998 109.723 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.53 -44.05 98.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.891 -0.595 . . . . 0.02 109.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.89 -45.99 92.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.83 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.4 m -59.71 -43.91 93.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.059 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.93 -42.3 99.7 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.4 mm-40 -62.89 -44.03 97.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.449 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -59.36 -48.64 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.878 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.536 HH12 ' HB2' ' B' ' 87' ' ' ALA . 63.8 ttm-85 -61.04 -46.43 90.77 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.0 p -56.34 -43.34 78.98 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.46 -41.62 98.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.723 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.633 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -56.75 -48.04 78.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.478 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.1 m-85 -59.29 -40.49 86.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.697 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.42 88.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.673 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -43.16 90.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.665 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.89 -45.39 93.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.385 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.63 -42.73 71.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.7 -41.71 91.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.907 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -43.23 93.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.678 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.74 -31.15 70.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.989 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.39 -5.11 59.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.351 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.23 17.32 74.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -97.46 81.18 2.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.776 0.322 . . . . 0.0 110.327 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.4 -33.78 76.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.555 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.39 80.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.012 0.434 . . . . 0.0 110.753 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.79 82.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.456 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.25 81.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.544 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.13 -41.72 98.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.586 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.41 99.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.628 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 63.1 mtt -65.88 -42.3 90.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.539 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.404 ' SD ' HG23 ' B' ' 92' ' ' THR . 72.7 mtm -63.52 -41.18 98.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -62.44 -45.45 93.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.51 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.16 -41.45 97.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.373 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.8 m -60.49 -46.16 91.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.485 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -61.12 -42.05 97.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.365 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.08 -42.25 99.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.225 0.536 . . . . 0.0 110.615 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.83 98.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.131 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' B' ' 18' ' ' ALA . 94.0 mt -65.36 -39.7 92.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.712 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -60.49 -41.97 95.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.329 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.75 -40.94 92.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.16 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.82 -43.11 89.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.498 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -63.03 -38.02 89.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.089999999999999997 110.289 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.1 mt -60.17 -44.59 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.342 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.21 -42.71 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 110.023 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.441 ' NE2' HD23 ' B' ' 74' ' ' LEU . 66.4 tp60 -59.42 -44.39 92.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.1 m -56.5 -42.27 78.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.059999999999999998 109.978 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.57 -40.12 90.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.948 0.404 . . . . 0.0 110.548 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.54 -38.56 87.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.751 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 86.4 mt -70.93 -38.24 71.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.035 -0.529 . . . . 0.040000000000000001 110.782 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.601 -179.245 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.541 ' O ' HG23 ' B' ' 75' ' ' VAL . 15.8 p . . . . . 0 N--CA 1.461 0.089 0 CA-C-O 121.027 0.442 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.567 ' HG ' HD21 ' C' ' 72' ' ' LEU . 23.8 mt -59.16 -45.59 90.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.578 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.53 HG13 HG21 ' B' ' 8' ' ' VAL . 70.8 t -64.1 -45.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.574 -178.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.441 HD23 ' NE2' ' B' ' 55' ' ' GLN . 83.7 mt -63.31 -41.53 98.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.042 0.449 . . . . 0.11 110.979 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 71' ' ' SER . 53.9 t -60.01 -47.1 93.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.757 -0.656 . . . . 0.38 110.296 -179.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.407 ' O ' ' HD2' ' B' ' 80' ' ' HIS . 53.9 t-80 -59.11 -46.24 88.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.848 -0.341 . . . . 1.1100000000000001 110.245 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.25 95.4 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.839 0.352 . . . . 0.059999999999999998 110.441 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -62.26 -39.81 94.13 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.088 -0.506 . . . . 1.0900000000000001 110.298 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.549 ' O ' HG23 ' B' ' 83' ' ' THR . 46.7 tp -57.6 -46.89 83.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.347 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' B' ' 76' ' ' HIS . 26.7 m-70 -68.01 -46.43 71.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.376 -0.375 . . . . 0.080000000000000002 110.782 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.82 -47.02 88.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.63 -43.02 99.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.189 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.1 p -63.91 -49.09 74.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.131 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -60.54 -49.66 76.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.663 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.53 -47.85 80.88 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.49 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.16 -45.24 94.3 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ALA . . . . . 0.536 ' HB2' HH12 ' B' ' 19' ' ' ARG . . . -58.62 -47.85 82.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.892 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -57.97 -45.08 87.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.484 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -62.14 -43.04 99.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.165 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.69 -43.55 93.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.115 0.483 . . . . 0.0 110.022 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.633 HD12 ' HB1' ' B' ' 22' ' ' ALA . 80.8 mt -60.42 -42.27 90.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.253 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.404 HG23 ' SD ' ' B' ' 41' ' ' MET . 69.5 m -57.64 -45.37 85.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.046 0.45 . . . . 0.0 109.827 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.08 -44.18 93.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.579 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.6 mt -59.09 -44.02 91.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.48 -42.75 95.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.476 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.74 -40.97 94.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 97' ' ' LEU . 34.7 mt -62.25 -41.75 98.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.803 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.579 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 66.9 m80 -60.16 -40.58 90.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.753 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.69 -39.01 93.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.099 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.83 -40.58 96.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.206 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.448 179.587 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.608 ' O ' HG23 ' C' ' 8' ' ' VAL . 57.6 mt . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.627 0.251 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -63.57 -48.1 78.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 1.9399999999999999 110.398 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.27 -34.55 78.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.313 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 96.5 t -63.87 -42.58 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.405 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.608 HG23 ' O ' ' C' ' 4' ' ' LEU . 96.9 t -61.44 -44.15 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.964 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.1 mtp -59.04 -41.49 87.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.58 -0.526 . . . . 0.17999999999999999 109.58 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.65 -41.94 97.52 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 11' ' ' LEU . 37.0 mt -62.9 -42.51 99.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.32 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.81 -44.53 99.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.013 -0.539 . . . . 0.29999999999999999 109.733 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.16 -44.45 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 0.02 110.015 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.48 -45.85 92.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.765 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 37.2 m -59.79 -44.02 94.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.42 99.68 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' GLN . . . . . 0.497 ' O ' ' OG ' ' C' ' 20' ' ' SER . 92.2 mm-40 -62.91 -44.11 96.97 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.97 -49.26 78.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.523 HH12 ' HB2' ' C' ' 87' ' ' ALA . 64.0 ttm-85 -60.93 -46.4 90.83 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.8 p -56.01 -43.94 78.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.87 -41.76 98.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.711 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.641 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -56.51 -48.17 77.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.484 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.3 m-85 -59.43 -40.36 86.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.508 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.36 88.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.72 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.97 91.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.562 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.82 -45.47 93.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.466 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.88 -42.22 71.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.49 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.16 -41.19 92.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.901 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.22 95.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.786 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.86 -31.07 70.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.099 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.25 -5.15 59.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.451 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.35 17.57 73.51 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.76 81.38 2.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.717 0.294 . . . . 0.0 110.258 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.68 -33.77 76.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.547 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.47 79.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.01 0.434 . . . . 0.0 110.654 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.64 81.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.16 81.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.502 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.03 -41.84 98.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.691 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.72 99.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mtt -65.75 -42.09 91.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.403 ' SD ' HG23 ' C' ' 92' ' ' THR . 74.0 mtm -63.83 -41.04 97.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.586 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.4 -45.71 91.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.482 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -64.1 -41.41 97.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.326 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.54 -45.93 92.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.538 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -61.1 -41.91 97.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.325 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.41 -42.4 99.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.263 0.554 . . . . 0.0 110.493 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.05 98.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.3 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' C' ' 18' ' ' ALA . 95.0 mt -65.11 -40.13 94.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.706 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -60.53 -41.99 95.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.334 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.65 -40.84 92.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.026 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.93 -43.23 88.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.388 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.561 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 63.0 t-80 -62.78 -38.0 88.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.052 -0.522 . . . . 0.089999999999999997 110.347 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.29 -44.6 95.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.307 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 68.5 t -65.03 -42.88 95.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.993 0.425 . . . . 0.0 109.948 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.454 HE22 HD23 ' C' ' 74' ' ' LEU . 66.3 tp60 -59.31 -44.55 92.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.241 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.958 HG21 HG22 ' D' ' 356' ' ' THR . 15.3 m -56.4 -42.22 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.363 . . . . 0.059999999999999998 110.122 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.66 -40.19 91.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.47 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.3 -38.51 87.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.14 -37.8 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.059999999999999998 110.832 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.536 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.445 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.567 HD21 ' HG ' ' B' ' 72' ' ' LEU . 15.8 mt . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 120.627 0.251 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.539 HG13 HG21 ' C' ' 8' ' ' VAL . 64.4 t -65.7 -46.13 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 130.09 3.356 . . . . 0.0 110.683 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.454 HD23 HE22 ' C' ' 55' ' ' GLN . 83.7 mt -65.34 -41.11 94.26 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.191 -0.459 . . . . 0.11 110.975 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.38 -47.55 92.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.821 -0.627 . . . . 0.40000000000000002 110.2 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.419 ' O ' ' HD2' ' C' ' 80' ' ' HIS . 54.0 t-80 -59.2 -46.08 89.37 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.911 -0.315 . . . . 1.02 110.294 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.96 95.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.864 0.364 . . . . 0.059999999999999998 110.436 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -62.65 -39.8 95.04 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0900000000000001 110.22 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.538 ' O ' HG23 ' C' ' 83' ' ' THR . 46.0 tp -57.39 -46.91 82.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.515 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.419 ' HD2' ' O ' ' C' ' 76' ' ' HIS . 27.3 m-70 -68.2 -46.28 71.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.382 -0.372 . . . . 0.080000000000000002 110.73 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.9 -46.88 88.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.821 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.71 -42.74 99.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.538 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.3 p -64.35 -48.67 74.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.188 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 73.6 m -61.06 -49.3 77.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.57 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -57.58 -48.19 80.06 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.534 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.86 -45.07 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.154 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 87' ' ' ALA . . . . . 0.523 ' HB2' HH12 ' C' ' 19' ' ' ARG . . . -58.87 -47.63 84.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -58.17 -45.11 88.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.246 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.84 -43.38 98.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 110.225 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.5 -43.5 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.227 0.537 . . . . 0.0 110.059 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.641 HD12 ' HB1' ' C' ' 22' ' ' ALA . 80.0 mt -60.41 -42.2 90.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.362 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.403 HG23 ' SD ' ' C' ' 41' ' ' MET . 74.0 m -57.8 -45.24 86.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.034 0.445 . . . . 0.0 109.917 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.07 -43.94 93.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.565 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.587 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 80.6 mt -59.31 -44.03 92.6 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.33 -42.94 95.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.639 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.7 -40.67 93.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.759 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 97' ' ' LEU . 35.5 mt -62.29 -41.69 98.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.862 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.2 m80 -60.44 -40.39 90.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.711 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.93 -38.65 91.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.133 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -63.73 -40.93 97.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.321 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.07 -42.47 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.379 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -84.24 132.69 34.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.435 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.505 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.867 0.842 . . . . 0.0 108.941 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.0 t80 -139.8 143.0 36.66 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.37 38.65 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.935 -1.103 . . . . 0.0 109.555 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.21 149.18 28.46 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.3 19.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.056 -1.027 . . . . 0.0 108.391 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.69 136.62 36.97 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 122.129 0.966 . . . . 0.0 110.14 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.98 114.3 24.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 177.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.83 -4.38 19.33 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.52 141.76 85.71 Favored Pre-proline 0 N--CA 1.5 2.04 0 O-C-N 119.769 -1.832 . . . . 0.0 110.647 178.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.41 -47.71 12.65 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 124.785 3.657 . . . . 0.0 114.139 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.561 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 95.4 m-20 -102.12 27.57 6.53 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 116.082 -2.247 . . . . 0.0 108.796 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.04 -126.83 29.46 Favored Glycine 0 N--CA 1.497 2.719 0 C-N-CA 117.669 -2.205 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 7.6 tp -126.84 78.8 1.83 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.976 -1.308 . . . . 0.0 109.528 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -85.81 173.25 10.16 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 117.855 -1.538 . . . . 0.0 112.152 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.8 p -23.34 -67.71 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -176.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' D' ' 316' ' ' THR . 34.3 ttt-85 -45.95 -65.54 0.65 Allowed Pre-proline 0 N--CA 1.492 1.658 0 C-N-CA 120.14 -0.624 . . . . 0.0 112.507 -177.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.64 -32.28 58.13 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 C-N-CA 121.858 1.705 . . . . 0.0 111.509 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.479 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.75 86.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 0.0 109.526 -179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.04 -39.72 72.13 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -63.98 -39.3 93.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.49 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.77 -45.3 93.31 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.56 1.172 . . . . 0.0 108.644 -177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.479 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.0 t -62.65 -42.3 95.5 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.303 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.644 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.89 -40.21 96.0 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.282 -0.886 . . . . 0.0 109.744 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.81 -39.69 79.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.477 -0.764 . . . . 0.0 109.56 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.99 91.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.634 -1.291 . . . . 0.0 109.415 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.27 -16.27 43.72 Favored 'General case' 0 N--CA 1.511 2.614 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.6 86.03 Favored Glycine 0 N--CA 1.479 1.544 0 O-C-N 119.901 -1.75 . . . . 0.0 109.309 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.4 32.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.322 -1.693 . . . . 0.0 110.006 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.6 p -75.64 -30.04 59.35 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.35 -0.844 . . . . 0.0 112.309 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.8 158.53 10.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 119.828 -1.795 . . . . 0.0 112.868 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.23 35.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 102.805 -3.035 . . . . 0.0 102.805 171.289 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.68 136.66 60.16 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 122.209 1.004 . . . . 0.0 109.294 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -125.05 143.17 51.05 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-O 123.132 1.444 . . . . 0.0 109.944 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.2 t -108.09 130.0 61.35 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.69 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 173.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.427 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.5 m -127.53 119.57 26.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.918 -1.114 . . . . 0.0 108.917 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.54 122.6 39.27 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.582 -0.699 . . . . 0.0 109.97 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.71 38.96 24.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.943 -1.098 . . . . 0.0 112.761 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 11.02 83.46 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 120.008 -1.683 . . . . 0.0 112.515 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.85 136.28 54.54 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 69.0 m -124.79 158.49 33.22 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-O 123.794 1.759 . . . . 0.0 112.39 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.6 151.43 31.51 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 112.531 -2.122 . . . . 0.0 108.659 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.66 135.98 48.75 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.74 47.4 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.59 -1.319 . . . . 0.0 110.701 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.88 31.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.67 -1.269 . . . . 0.0 109.378 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.1 m -133.03 104.13 6.38 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 122.103 0.954 . . . . 0.0 110.173 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.22 -37.92 72.97 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.954 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -58.89 -51.32 70.53 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.593 -1.317 . . . . 0.0 113.144 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.52 70.75 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 119.505 -1.997 . . . . 0.0 109.191 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.75 -33.79 75.87 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 119.004 -1.078 . . . . 0.0 109.952 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.536 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.61 -10.44 52.09 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.593 -0.692 . . . . 0.0 109.953 -177.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 38.5 p -89.77 -7.79 53.66 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.951 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 93.8 mt -93.29 159.24 15.35 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.202 -0.936 . . . . 0.0 110.211 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.909 0 N-CA-C 106.951 -2.46 . . . . 0.0 106.951 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 87.6 mt -119.59 47.38 1.72 Allowed 'General case' 0 C--N 1.309 -1.167 0 O-C-N 120.741 -1.447 . . . . 0.0 107.438 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.958 HG22 HG21 ' C' ' 56' ' ' THR . 3.2 p -81.53 172.55 13.34 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.745 -1.182 . . . . 0.0 109.19 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.67 140.89 57.31 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.823 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.16 79.0 Favored Glycine 0 N--CA 1.5 2.951 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.335 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.44 135.85 34.09 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.775 -1.426 . . . . 0.0 110.627 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.53 123.69 48.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.15 160.09 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 C-N-CA 117.433 -1.707 . . . . 0.0 110.61 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.427 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.87 128.36 54.84 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.619 -1.301 . . . . 0.0 107.592 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.85 121.39 60.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 105.442 -2.059 . . . . 0.0 105.442 176.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.57 147.19 50.69 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.4 47.18 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.799 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.76 6.4 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.06 178.183 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.33 40.2 Favored Glycine 0 C--N 1.297 -1.624 0 C-N-CA 118.002 -2.047 . . . . 0.0 110.375 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.57 82.59 Favored 'General case' 0 C--N 1.276 -2.603 0 CA-C-N 114.437 -0.882 . . . . 0.0 112.19 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.03 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 115.912 -2.315 . . . . 0.0 108.587 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.35 -33.53 65.75 Favored 'General case' 0 N--CA 1.521 3.11 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 -174.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.45 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.65 27.42 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 119.575 -1.953 . . . . 0.0 110.982 -176.569 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.779 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.79 98.02 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 178.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.59 77.29 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.493 -1.683 . . . . 0.0 109.971 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.77 -42.17 88.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 122.198 0.999 . . . . 0.0 109.315 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.93 -47.94 76.63 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 122.047 0.927 . . . . 0.0 108.702 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.779 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.2 m80 -69.79 -38.32 76.64 Favored 'General case' 0 C--N 1.291 -1.966 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.688 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.438 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.53 -28.66 59.16 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.431 -1.418 . . . . 0.0 110.908 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.5 71.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.17 63.35 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.23 84.33 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.534 177.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.35 -37.32 85.2 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.86 -1.15 . . . . 0.0 111.564 -177.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.8 61.62 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.155 -0.966 . . . . 0.0 110.28 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.94 -32.3 45.48 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.453 -0.78 . . . . 0.0 111.31 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.1 125.54 12.48 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.358 2.028 . . . . 0.0 112.896 178.66 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 78.7 mm-40 . . . . . 0 C--N 1.277 -2.545 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.09 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.1 mt . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.76 -47.19 79.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 1.9399999999999999 110.223 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -67.71 -37.01 81.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.276 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.452 HG11 HD11 ' A' ' 58' ' ' LEU . 89.0 t -63.93 -42.39 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.349 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 4' ' ' LEU . 75.1 t -60.47 -44.88 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.926 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.4 mtp -59.3 -41.37 88.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.534 -0.543 . . . . 0.17999999999999999 109.534 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.6 -42.58 97.3 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.23 -43.62 97.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.252 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.09 -44.6 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 0.20000000000000001 109.817 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' HD2' ' D' ' 324' ' ' LYS . 87.5 mt -63.95 -44.44 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 0.01 110.014 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 43.8 t-20 -61.25 -46.79 88.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.768 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.45 -44.18 96.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.977 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.548 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.06 -44.1 97.81 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.445 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.7 mm-40 -62.58 -44.45 96.29 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.13 78.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.83 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -61.21 -46.49 90.24 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.4 p -56.29 -43.56 78.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.9 -41.16 97.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.702 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.601 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.5 -48.21 79.86 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.49 -41.51 90.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.606 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.5 96.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.751 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.01 88.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.719 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.83 -44.87 95.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.395 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.39 -42.16 73.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.02 -41.47 96.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.775 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.08 94.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.753 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.03 -29.56 69.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.186 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -80.79 -4.76 55.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.28 14.06 75.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.88 80.0 2.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.732 0.301 . . . . 0.0 110.287 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -64.53 -34.63 78.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.659 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.2 83.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.078 0.466 . . . . 0.0 110.754 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.51 81.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.348 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.81 -47.35 85.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.545 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -61.47 -42.1 98.26 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.57 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.1 97.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.63 -39.76 91.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.501 ' CE ' HG23 ' A' ' 92' ' ' THR . 34.7 mtp -62.19 -42.56 99.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -62.38 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.499 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.64 -42.21 98.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.259 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -60.16 -46.15 90.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.591 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -60.93 -42.09 97.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.309 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.85 -42.27 98.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.17 0.51 . . . . 0.0 110.526 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.49 98.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.17 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 48' ' ' LEU . 89.2 mt -65.63 -39.35 91.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.658 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -60.96 -41.97 97.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.327 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.21 -40.12 93.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.195 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.89 -44.22 81.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.534 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.32 -38.1 88.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.065 -0.516 . . . . 0.089999999999999997 110.372 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.0 -44.01 98.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.39 -43.38 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.062 0.458 . . . . 0.0 110.033 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.588 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -60.07 -43.76 95.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.588 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 19.5 m -56.78 -42.54 79.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.059999999999999998 110.048 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.71 -38.97 89.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.54 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.615 ' HB3' HD21 ' A' ' 74' ' ' LEU . 96.6 mt -62.98 -30.17 71.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.72 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.543 HD11 ' NE2' ' A' ' 55' ' ' GLN . 96.7 mt -82.31 -32.01 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.53 . . . . 0.050000000000000003 110.864 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.875 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 N--CA 1.462 0.15 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.69 -41.9 82.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.694 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.57 ' CG1' HG21 ' A' ' 8' ' ' VAL . 71.2 t -63.01 -44.76 99.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.914 0.388 . . . . 0.0 110.514 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 58' ' ' LEU . 19.4 mt -61.6 -39.7 92.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.057 0.456 . . . . 0.11 110.935 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.433 ' HA ' HE21 ' A' ' 78' ' ' GLN . 55.9 t -58.45 -46.84 89.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.737 -0.665 . . . . 0.38 110.185 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -58.83 -44.77 90.99 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.319 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.25 98.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.814 0.34 . . . . 0.059999999999999998 110.679 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.433 HE21 ' HA ' ' A' ' 75' ' ' VAL . 33.3 mt-30 -61.84 -39.18 90.95 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0900000000000001 110.195 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 83' ' ' THR . 31.3 tp -56.52 -46.61 80.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.409 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.45 ' O ' ' OG1' ' A' ' 83' ' ' THR . 72.3 m-70 -66.82 -46.5 74.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.289 -0.414 . . . . 0.080000000000000002 110.732 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.33 -45.48 94.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.721 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.05 -43.38 98.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.17 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.5 p -62.42 -45.07 94.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.085 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -61.95 -49.17 77.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -58.02 -47.64 82.47 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.52 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.45 -44.46 97.08 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.102 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.42 85.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.872 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.401 ' NE ' HD12 ' A' ' 48' ' ' LEU . 72.9 ttp85 -58.64 -45.25 89.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.69 -43.99 97.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.092 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.52 -42.5 95.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 109.849 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.601 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.3 mt -60.83 -42.75 93.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.501 HG23 ' CE ' ' A' ' 41' ' ' MET . 68.4 m -57.35 -46.08 83.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.036 0.446 . . . . 0.0 109.933 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.9 mt-10 -63.06 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.583 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.547 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.9 mt -59.78 -42.95 94.45 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.02 -42.95 95.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.5 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.13 -39.3 92.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.071 0.462 . . . . 0.0 109.787 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.09 -41.72 98.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.843 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.547 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.8 m80 -60.76 -39.15 87.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.9 -39.44 91.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.185 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.44 -39.38 93.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.226 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.365 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.65 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.1 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.604 0.24 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.6 -47.18 79.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.881 0.372 . . . . 1.9399999999999999 110.272 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -67.64 -37.07 81.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.279 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.435 HG11 HD11 ' B' ' 58' ' ' LEU . 88.2 t -63.82 -42.46 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 4' ' ' LEU . 75.6 t -60.58 -44.63 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.868 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mtp -59.39 -41.63 89.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.54 -0.541 . . . . 0.17999999999999999 109.54 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -42.65 97.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.85 -43.69 98.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.853 0.358 . . . . 0.0 110.437 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.29 -44.53 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 0.28999999999999998 109.696 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.89 -44.35 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.02 109.893 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 44.0 t-20 -61.35 -46.59 89.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.932 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -60.79 -43.83 97.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.101 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.73 97.84 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.499 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.8 mm-40 -62.86 -44.63 95.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.38 77.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.976 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.85 -46.58 90.0 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 81.1 p -55.97 -44.09 78.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -61.36 -41.57 97.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.711 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.591 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.46 -48.06 80.18 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.66 -41.51 90.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.637 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.6 96.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.778 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.19 89.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.619 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.44 -45.29 94.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.339 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.3 -41.86 72.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.14 -41.14 96.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.873 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.87 95.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.717 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.28 -29.37 69.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.068 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.95 -4.67 55.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.06 14.17 75.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.84 79.85 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.355 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.84 -34.48 78.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.608 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -47.66 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.006 0.432 . . . . 0.0 110.848 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.62 81.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.395 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.26 86.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.578 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -61.37 -42.56 98.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 0.0 110.55 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.09 97.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.649 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 95.0 mmm -65.56 -40.19 92.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.51 ' CE ' HG23 ' B' ' 92' ' ' THR . 34.2 mtp -61.81 -42.79 99.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.548 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -62.24 -43.62 98.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.464 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.08 -42.46 99.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -60.19 -46.12 90.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.474 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.88 -41.68 96.46 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.369 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.98 -42.6 99.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.32 0.581 . . . . 0.0 110.611 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.28 98.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.171 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 48' ' ' LEU . 88.7 mt -66.1 -39.24 89.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.785 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -60.95 -41.88 97.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.361 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.34 -39.97 93.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.14 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.99 -44.49 80.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.44 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.26 -38.22 88.45 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.089999999999999997 110.222 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.7 mt -60.66 -43.95 97.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.878 0.371 . . . . 0.0 110.381 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.72 -43.24 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.068 0.461 . . . . 0.0 110.02 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.594 ' OE1' ' N ' ' B' ' 56' ' ' THR . 1.0 OUTLIER -60.3 -43.44 96.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.594 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 18.9 m -56.8 -42.93 80.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.059999999999999998 110.007 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.33 -39.0 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.916 0.389 . . . . 0.0 110.595 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.619 ' HB3' HD21 ' B' ' 74' ' ' LEU . 96.5 mt -62.94 -30.27 71.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.705 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.543 HD11 ' NE2' ' B' ' 55' ' ' GLN . 97.0 mt -82.27 -32.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.086 -0.506 . . . . 0.040000000000000001 110.721 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.529 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.46 0.05 0 CA-C-O 121.047 0.451 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.31 -41.68 93.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.545 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.57 ' CG1' HG21 ' B' ' 8' ' ' VAL . 73.3 t -62.04 -44.41 98.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.6 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' B' ' 58' ' ' LEU . 19.5 mt -61.6 -39.27 90.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.167 0.508 . . . . 0.11 111.04 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.432 ' HA ' HE21 ' B' ' 78' ' ' GLN . 54.4 t -58.8 -46.35 90.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.802 -0.636 . . . . 0.38 110.256 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -59.39 -44.79 92.74 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.836 -0.346 . . . . 1.1100000000000001 110.309 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.22 98.89 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.917 0.389 . . . . 0.059999999999999998 110.417 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.432 HE21 ' HA ' ' B' ' 75' ' ' VAL . 33.1 mt-30 -62.01 -38.93 90.48 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0900000000000001 110.264 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 83' ' ' THR . 28.7 tp -56.71 -46.42 81.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.44 ' O ' ' OG1' ' B' ' 83' ' ' THR . 71.4 m-70 -66.94 -46.54 74.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.387 -0.37 . . . . 0.080000000000000002 110.725 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -60.83 -43.03 98.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.372 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.7 p -62.88 -45.1 94.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.12 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -61.89 -49.09 77.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.2 ttp -57.84 -47.85 81.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.517 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.28 -44.53 97.08 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.185 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.76 -47.47 84.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.916 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -58.63 -45.65 88.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.279 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.404 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.7 mt-10 -61.25 -44.24 97.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.128 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.15 -42.67 96.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.042 0.448 . . . . 0.0 110.042 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.591 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.1 mt -60.84 -42.7 93.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.196 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.51 HG23 ' CE ' ' B' ' 41' ' ' MET . 72.4 m -57.14 -46.21 82.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.126 0.489 . . . . 0.0 109.855 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.505 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.6 mt-10 -63.1 -43.12 99.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.533 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.3 mt -59.7 -42.92 94.08 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.21 -43.01 95.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.517 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.9 -39.23 91.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.731 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.0 mt -62.26 -41.54 98.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.799 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 68.1 m80 -60.82 -39.0 87.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.778 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.16 -39.83 93.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.101 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.03 -39.3 93.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.23 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.411 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.653 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.0 mt . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.645 0.26 . . . . 0.0 110.477 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.75 -47.2 79.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 1.9399999999999999 110.372 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.45 -37.04 82.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.332 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.435 HG11 HD11 ' C' ' 58' ' ' LEU . 89.2 t -63.86 -42.32 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.385 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.653 HG23 ' O ' ' C' ' 4' ' ' LEU . 74.8 t -60.65 -44.54 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.985 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.9 mtp -59.64 -41.27 90.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.598 -0.519 . . . . 0.17999999999999999 109.598 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.7 -42.55 97.17 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' C' ' 11' ' ' LEU . 84.5 mt -63.22 -43.46 98.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.391 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.26 -44.65 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.29999999999999999 109.679 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.83 -44.29 98.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.02 110.044 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 43.4 t-20 -61.77 -46.2 90.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.837 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.94 -43.65 98.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.185 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.7 -43.41 97.87 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' GLN . . . . . 0.481 ' O ' ' OG ' ' C' ' 20' ' ' SER . 92.7 mm-40 -63.01 -44.13 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.2 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.19 -46.38 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 79.1 p -56.09 -44.34 78.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.15 -41.41 96.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.719 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.61 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.42 -48.17 79.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.404 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -59.8 -41.48 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.542 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.24 96.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.718 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.39 89.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.537 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.52 -45.13 95.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.416 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.33 -41.98 73.16 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.14 -41.09 96.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.91 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.25 94.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.764 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.15 -29.51 69.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.057 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -80.6 -4.75 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.476 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.98 14.44 75.08 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -97.15 79.98 2.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.718 0.294 . . . . 0.0 110.213 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -64.7 -34.58 78.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.508 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.52 82.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.08 0.467 . . . . 0.0 110.716 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.41 -35.53 81.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.345 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.01 -46.9 87.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.476 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -61.61 -42.61 99.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 110.552 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.23 97.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.59 -40.1 92.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.519 ' CE ' HG23 ' C' ' 92' ' ' THR . 34.7 mtp -61.9 -42.66 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.622 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -62.49 -42.88 99.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.48 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -63.89 -42.32 97.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.282 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.01 -46.15 90.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.562 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.72 -42.19 96.79 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.395 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.7 mtp -61.74 -42.43 98.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.359 0.6 . . . . 0.0 110.53 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.32 98.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.339 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.98 -39.37 90.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -61.08 -41.68 97.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.41 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.49 -40.17 92.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.074 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.446 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.7 -44.5 81.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.364 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -62.1 -38.38 88.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.032 -0.531 . . . . 0.089999999999999997 110.301 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 53' ' ' LEU . 36.5 mt -61.0 -43.59 98.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.249 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.62 -43.29 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.066 0.46 . . . . 0.0 110.013 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' C' ' 56' ' ' THR . 1.0 OUTLIER -60.49 -43.47 96.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.236 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.865 HG21 HG22 ' D' ' 356' ' ' THR . 18.0 m -56.93 -42.59 80.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.406 . . . . 0.059999999999999998 110.173 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.5 -38.84 88.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.909 0.385 . . . . 0.0 110.533 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.643 ' HB3' HD21 ' C' ' 74' ' ' LEU . 96.6 mt -63.02 -30.15 71.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.535 HD11 ' NE2' ' C' ' 55' ' ' GLN . 96.9 mt -82.43 -32.04 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.911 -0.586 . . . . 0.059999999999999998 110.834 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.4 mm-40 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 120.578 0.228 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.505 ' CG1' HG21 ' C' ' 8' ' ' VAL . 79.1 t -62.61 -44.73 99.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 130.075 3.35 . . . . 0.0 110.661 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.643 HD21 ' HB3' ' C' ' 58' ' ' LEU . 21.4 mt -63.43 -39.29 94.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.111 0.481 . . . . 0.11 111.067 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.428 ' HA ' HE21 ' C' ' 78' ' ' GLN . 55.8 t -58.76 -47.29 89.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.757 -0.656 . . . . 0.40000000000000002 110.213 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -59.1 -44.81 91.97 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.862 -0.335 . . . . 1.02 110.365 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.37 98.66 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.797 0.332 . . . . 0.059999999999999998 110.379 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 78' ' ' GLN . . . . . 0.428 HE21 ' HA ' ' C' ' 75' ' ' VAL . 33.1 mt-30 -61.82 -39.16 90.81 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0900000000000001 110.265 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.499 ' O ' HG23 ' C' ' 83' ' ' THR . 29.7 tp -56.62 -46.4 80.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.496 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.44 ' O ' ' OG1' ' C' ' 83' ' ' THR . 72.0 m-70 -67.06 -46.39 74.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.391 -0.368 . . . . 0.080000000000000002 110.732 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.5 -45.34 94.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.825 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.03 -43.02 99.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.382 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.499 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.1 p -62.98 -44.82 94.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.133 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.05 -49.22 76.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.57 -48.0 80.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.546 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.4 -44.51 97.02 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.71 -47.54 84.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.923 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -58.6 -45.45 89.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.21 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.2 -44.43 97.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.96 0.41 . . . . 0.0 110.224 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.12 -42.86 96.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.157 0.503 . . . . 0.0 110.032 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.61 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.9 mt -60.54 -42.95 93.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.519 HG23 ' CE ' ' C' ' 41' ' ' MET . 71.5 m -56.98 -45.77 82.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.05 0.453 . . . . 0.0 109.963 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.63 -42.96 98.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.458 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.545 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.1 mt -59.65 -43.0 94.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.07 -42.91 94.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.546 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -62.23 -39.02 91.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.11 0.481 . . . . 0.0 109.73 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.7 mt -62.24 -41.4 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.934 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.4 m80 -61.16 -38.65 87.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.767 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.9 tt0 -62.4 -39.71 94.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.092 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.21 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.5 -41.88 96.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.377 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.2 mttt -91.8 142.38 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.53 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.876 0.846 . . . . 0.0 108.901 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.5 t80 -139.78 143.03 36.72 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.96 156.28 38.58 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.001 -1.062 . . . . 0.0 109.58 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.1 149.19 28.54 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.39 18.91 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.041 -1.037 . . . . 0.0 108.314 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.89 144.35 19.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.72 136.62 37.0 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 122.199 1.0 . . . . 0.0 110.1 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.93 114.3 24.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.85 -4.28 19.4 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.812 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.85 85.78 Favored Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 119.693 -1.879 . . . . 0.0 110.593 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.5 -47.73 12.82 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 124.737 3.625 . . . . 0.0 114.104 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -102.09 27.56 6.53 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 116.14 -2.224 . . . . 0.0 108.786 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.69 -119.82 11.74 Favored Glycine 0 N--CA 1.497 2.714 0 C-N-CA 117.683 -2.199 . . . . 0.0 109.573 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' D' ' 314' ' ' LEU . 3.1 tp -137.94 79.41 1.74 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.931 -1.334 . . . . 0.0 109.53 -177.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -86.67 179.27 6.82 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 117.87 -1.532 . . . . 0.0 112.221 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.444 ' H ' HG23 ' D' ' 316' ' ' THR . 15.6 p -21.99 -67.31 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 -177.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.548 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.2 ttt-85 -49.45 -65.83 0.74 Allowed Pre-proline 0 N--CA 1.493 1.685 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.544 -176.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.65 -32.25 58.03 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.776 1.651 . . . . 0.0 111.529 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.502 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.84 86.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.176 -0.953 . . . . 0.0 109.514 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.67 72.5 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.97 -39.41 94.06 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 117.982 -1.487 . . . . 0.0 109.451 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.25 93.67 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.614 1.197 . . . . 0.0 108.739 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.502 HG23 ' O ' ' D' ' 319' ' ' ALA . 60.4 t -62.73 -42.2 95.28 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.66 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.402 ' HD2' HD13 ' A' ' 13' ' ' ILE . 68.3 mttt -63.98 -40.24 95.93 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.23 -0.919 . . . . 0.0 109.716 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.528 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.66 80.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.397 -0.814 . . . . 0.0 109.552 177.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.12 -43.96 91.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.528 -1.357 . . . . 0.0 109.439 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.39 -16.18 43.9 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.58 86.11 Favored Glycine 0 N--CA 1.478 1.48 0 O-C-N 119.862 -1.773 . . . . 0.0 109.323 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.42 143.33 32.84 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.224 -1.75 . . . . 0.0 109.997 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.3 p -75.58 -30.08 59.52 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.142 -0.974 . . . . 0.0 112.358 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.73 158.56 10.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 119.832 -1.792 . . . . 0.0 112.799 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.03 130.21 35.28 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 102.846 -3.02 . . . . 0.0 102.846 171.245 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.61 136.6 60.34 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.403 0 CA-C-O 122.152 0.977 . . . . 0.0 109.302 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.4 m -124.97 143.29 50.97 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-O 123.181 1.467 . . . . 0.0 109.971 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.433 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.18 129.94 61.58 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.697 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 173.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.5 m -127.46 119.57 26.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.837 -1.165 . . . . 0.0 108.972 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.62 122.58 39.16 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.569 -0.707 . . . . 0.0 109.848 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.76 38.96 24.43 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.885 -1.134 . . . . 0.0 112.749 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.87 83.69 Favored Glycine 0 N--CA 1.501 3.02 0 O-C-N 119.874 -1.766 . . . . 0.0 112.548 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.74 136.3 54.49 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.77 158.52 33.11 Favored 'General case' 0 C--N 1.274 -2.693 0 CA-C-O 123.798 1.761 . . . . 0.0 112.436 -176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.43 31.46 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.516 -2.129 . . . . 0.0 108.555 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 135.97 48.77 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.547 -2.02 . . . . 0.0 105.547 173.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.433 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.76 47.63 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.699 -1.251 . . . . 0.0 110.718 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.52 13.03 31.37 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.666 -1.272 . . . . 0.0 109.396 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.6 t -133.13 104.21 6.39 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.177 0.989 . . . . 0.0 110.054 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.9 tp -57.28 -37.95 73.17 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.954 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -58.86 -51.36 70.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.588 -1.32 . . . . 0.0 113.08 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.34 70.34 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.606 -1.934 . . . . 0.0 109.236 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.85 -33.71 75.83 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 118.959 -1.097 . . . . 0.0 109.92 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.41 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.64 -10.5 52.78 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.656 -0.653 . . . . 0.0 109.874 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 43.1 p -89.82 -7.66 53.84 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 118.117 -1.433 . . . . 0.0 110.901 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.36 159.33 15.3 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.141 -0.974 . . . . 0.0 110.165 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.83 2.97 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.4 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.63 -1.512 . . . . 0.0 107.379 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.865 HG22 HG21 ' C' ' 56' ' ' THR . 4.3 p -81.44 172.5 13.45 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 118.749 -1.181 . . . . 0.0 109.248 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.67 140.89 57.3 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.884 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.18 78.79 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.372 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.47 135.92 34.05 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.914 -1.345 . . . . 0.0 110.56 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.52 123.75 48.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.0 m -112.25 160.06 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 C-N-CA 117.377 -1.729 . . . . 0.0 110.565 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.87 128.33 54.82 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.493 -1.38 . . . . 0.0 107.593 175.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.86 121.42 60.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.24 50.7 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.34 47.15 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 118.538 -1.265 . . . . 0.0 109.772 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.12 110.8 6.45 Favored 'General case' 0 C--N 1.287 -2.145 0 C-N-CA 118.613 -1.235 . . . . 0.0 108.061 178.203 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.33 40.11 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.02 -2.038 . . . . 0.0 110.404 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.62 82.56 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 114.452 -0.874 . . . . 0.0 112.187 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.07 36.87 3.51 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 118.925 -2.36 . . . . 0.0 108.553 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.46 -33.46 65.94 Favored 'General case' 0 N--CA 1.523 3.199 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 -174.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.454 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.67 27.09 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.607 -1.933 . . . . 0.0 110.982 -176.583 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.774 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.71 97.82 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.55 77.46 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.499 -1.68 . . . . 0.0 110.023 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.79 -42.25 89.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 CA-C-O 122.229 1.014 . . . . 0.0 109.299 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.91 -47.83 76.75 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-O 122.019 0.914 . . . . 0.0 108.752 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.774 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.8 -38.36 76.59 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.673 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.1 mt -75.64 -28.64 58.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.383 -1.448 . . . . 0.0 110.842 -174.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.48 71.3 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.452 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.3 62.85 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.528 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.25 -45.16 84.23 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.519 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.4 -37.39 85.61 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.899 -1.125 . . . . 0.0 111.506 -177.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.8 61.65 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.097 -1.002 . . . . 0.0 110.275 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.84 -32.35 46.06 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.555 -0.715 . . . . 0.0 111.327 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.11 125.52 12.43 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 124.314 2.007 . . . . 0.0 112.856 178.741 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.812 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 75.0 mm-40 . . . . . 0 C--N 1.276 -2.59 0 CA-C-N 111.144 -2.753 . . . . 0.0 110.13 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 8' ' ' VAL . 99.8 mt . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.88 -46.21 82.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.893 0.378 . . . . 1.9399999999999999 110.303 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -68.27 -36.24 79.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.218 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.83 -42.42 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.431 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 4' ' ' LEU . 79.2 t -61.16 -44.12 97.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.939 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -58.87 -42.29 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.427 -0.583 . . . . 0.17999999999999999 109.427 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.57 98.5 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.4 -43.09 98.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.269 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.09 -44.35 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.20000000000000001 109.762 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.7 -43.87 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.964 -0.562 . . . . 0.01 109.99 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.51 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.8 t-20 -60.83 -46.19 91.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.786 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -59.47 -44.38 93.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.967 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -62.68 -41.7 99.79 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.4 mm-40 -63.27 -43.54 97.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.13 -48.76 80.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.923 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -61.33 -46.59 89.63 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.6 p -55.43 -44.24 76.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.28 -41.58 98.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.705 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.13 -48.94 77.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.69 -40.06 86.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.585 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.17 94.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.736 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.44 90.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.669 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.53 -45.35 94.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.483 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.7 -42.13 74.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.9 -42.22 93.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.773 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.8 93.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.71 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.61 -30.02 69.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.178 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -83.01 -5.14 58.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.419 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.24 18.18 67.5 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -99.24 79.6 2.34 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.81 0.338 . . . . 0.0 110.267 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.02 -33.83 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.632 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.49 79.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.079 0.466 . . . . 0.0 110.778 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.59 81.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -48.31 80.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.549 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.89 -42.22 98.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.618 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.743 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.1 mtt -65.41 -42.25 92.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.516 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.85 -41.62 97.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.693 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.23 -46.72 87.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.599 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.07 -41.16 99.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.234 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -60.58 -45.63 93.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -61.0 -42.51 98.6 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.12 -43.93 98.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.164 0.507 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.19 99.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.221 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' A' ' 18' ' ' ALA . 96.5 mt -65.52 -39.82 92.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.94 -41.58 96.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.308 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.74 -40.3 91.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.231 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.51 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.62 -43.76 83.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.474 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -62.51 -38.17 88.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.089999999999999997 110.376 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.5 mt -60.78 -44.64 96.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.21 -43.23 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.026 0.441 . . . . 0.0 109.976 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.476 ' NE2' HD23 ' A' ' 74' ' ' LEU . 64.6 tp60 -59.99 -43.34 95.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.242 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 m -56.84 -42.4 79.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.059999999999999998 110.05 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.26 -40.51 94.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.451 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.532 HD22 HD22 ' A' ' 4' ' ' LEU . 95.6 mt -67.62 -39.21 84.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.751 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.23 -39.52 79.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 0.050000000000000003 110.867 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.503 -179.135 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.4 p . . . . . 0 C--O 1.226 -0.141 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 72' ' ' LEU . 74.9 mt -57.0 -45.35 83.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.61 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.567 HG13 HG21 ' A' ' 8' ' ' VAL . 69.1 t -65.45 -47.14 87.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 110.52 -179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD23 ' NE2' ' A' ' 55' ' ' GLN . 83.9 mt -63.72 -41.64 98.04 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 120.994 0.426 . . . . 0.11 110.95 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 71' ' ' SER . 49.8 t -60.53 -47.77 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.79 -0.641 . . . . 0.38 110.122 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -59.43 -45.67 90.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.759 0.314 . . . . 0.0 110.328 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.3 96.11 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.477 -0.329 . . . . 0.059999999999999998 110.65 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.23 -40.12 96.54 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0900000000000001 110.139 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 83' ' ' THR . 50.6 tp -57.25 -44.91 84.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.37 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -67.19 -47.34 71.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.295 -0.411 . . . . 0.080000000000000002 110.738 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.31 -45.77 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.752 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.83 -43.93 97.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.163 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.2 p -64.48 -48.54 74.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.099 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.07 -49.09 77.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.43 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.54 -48.31 79.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.691 0.282 . . . . 0.0 110.545 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.65 -44.98 95.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.113 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.64 84.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -58.0 -45.74 86.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.084 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.39 -43.53 98.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.041 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.55 -43.05 95.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.175 0.512 . . . . 0.0 109.832 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.625 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.2 mt -59.9 -42.09 88.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.0 m -57.87 -45.18 86.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.72 -43.97 94.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.566 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 82.6 mt -59.14 -43.68 92.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.41 -42.71 94.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.56 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -61.18 -39.11 88.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.6 -41.62 99.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.948 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.0 m80 -59.76 -40.18 87.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.5 -40.12 95.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.163 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.13 -39.47 94.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.21 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.373 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.646 ' O ' HG23 ' B' ' 8' ' ' VAL . 99.3 mt . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.557 0.217 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.09 -46.07 82.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 1.9399999999999999 110.383 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -68.09 -36.06 79.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.238 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.08 -42.59 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.321 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 4' ' ' LEU . 81.2 t -61.14 -44.1 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.896 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.8 -42.27 88.71 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.482 -0.562 . . . . 0.17999999999999999 109.482 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.42 -41.36 98.08 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.38 -43.13 98.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 110.375 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.15 -44.33 99.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.042 -0.526 . . . . 0.28999999999999998 109.641 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.55 -44.21 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.916 -0.584 . . . . 0.02 109.916 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.523 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.6 t-20 -60.82 -46.06 92.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.96 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -59.11 -44.43 91.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.091 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.66 99.84 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.496 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.3 mm-40 -63.0 -43.66 98.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.432 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -59.02 -48.86 80.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.951 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -61.23 -46.55 89.97 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 79.5 p -55.63 -44.04 76.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.2 -41.74 98.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.733 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.622 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.08 -48.69 77.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.91 -40.1 87.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.663 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.12 93.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.675 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.99 90.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.641 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.84 -45.42 93.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.351 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.87 -41.56 74.57 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.44 -41.89 94.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.901 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.7 94.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.721 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.66 -30.34 69.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.081 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -82.92 -4.82 58.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.449 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.96 18.02 68.55 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -99.04 79.78 2.39 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.804 0.335 . . . . 0.0 110.365 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.32 -33.87 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.598 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.45 79.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.031 0.443 . . . . 0.0 110.781 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.34 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.378 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.17 80.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.579 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.74 -42.42 98.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.572 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.41 98.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.689 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 62.6 mtt -65.39 -42.36 92.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.61 -41.93 98.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -62.19 -46.6 88.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.436 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.05 -41.15 99.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.299 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.2 m -60.66 -45.59 93.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.473 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -61.22 -42.28 98.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.282 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 54.1 ttp -60.98 -44.2 97.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.346 0.593 . . . . 0.0 110.665 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.11 98.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.171 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' B' ' 18' ' ' ALA . 95.8 mt -65.76 -39.51 91.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.726 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.04 -41.83 97.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.386 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.59 -40.59 92.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.103 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.523 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.2 -44.33 84.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.49 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -61.96 -38.15 87.42 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.089999999999999997 110.332 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.94 -44.43 97.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.341 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.52 -43.05 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.987 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.48 ' NE2' HD23 ' B' ' 74' ' ' LEU . 63.9 tp60 -60.06 -43.03 95.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.265 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.4 m -56.97 -42.63 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.059999999999999998 109.994 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.06 -40.47 93.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.942 0.401 . . . . 0.0 110.548 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.532 HD22 HD22 ' B' ' 4' ' ' LEU . 95.3 mt -67.95 -38.71 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.66 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.75 -39.63 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.142 -0.481 . . . . 0.040000000000000001 110.779 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.544 -179.071 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.536 ' O ' HG23 ' B' ' 75' ' ' VAL . 99.2 p . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 121.072 0.463 . . . . 0.0 110.57 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.49 -45.52 91.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.517 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.553 HG13 HG21 ' B' ' 8' ' ' VAL . 69.8 t -64.12 -46.24 94.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.608 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.48 HD23 ' NE2' ' B' ' 55' ' ' GLN . 83.1 mt -64.37 -41.43 96.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.11 110.978 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 71' ' ' SER . 50.8 t -60.58 -47.2 93.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.79 -0.641 . . . . 0.38 110.3 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.598 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 11.8 t-160 -59.25 -46.65 87.94 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.849 -0.341 . . . . 1.1100000000000001 110.297 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.61 97.41 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.913 0.387 . . . . 0.059999999999999998 110.479 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -62.66 -41.0 98.83 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.072 -0.513 . . . . 1.0900000000000001 110.239 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 83' ' ' THR . 51.1 tp -56.83 -44.85 82.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.417 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.598 ' CE1' ' NE2' ' B' ' 76' ' ' HIS . 59.7 m170 -67.1 -47.26 71.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.375 -0.375 . . . . 0.080000000000000002 110.751 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.36 -45.91 92.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -62.72 -43.64 98.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.189 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.468 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.7 p -64.81 -48.33 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.151 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.02 -49.16 77.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -57.72 -48.27 80.06 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.376 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.68 -44.97 95.94 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.088 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.71 84.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.885 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.05 -45.56 86.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.272 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.47 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.143 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.85 -42.57 94.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 0.0 109.96 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.622 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.0 mt -60.3 -42.38 90.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.204 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.7 m -57.52 -44.89 85.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.091 0.472 . . . . 0.0 109.915 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.98 -43.81 94.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.474 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 83.1 mt -59.33 -43.62 92.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.45 -42.93 95.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.574 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -60.46 -39.83 89.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.721 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 97' ' ' LEU . 84.4 mt -62.25 -42.3 99.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.842 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.0 m80 -59.06 -40.06 83.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -62.72 -39.99 95.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.048 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.33 -39.24 93.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.384 179.763 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.658 ' O ' HG23 ' C' ' 8' ' ' VAL . 99.5 mt . . . . . 0 CA--C 1.522 -0.133 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.02 -46.14 82.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.347 . . . . 1.9399999999999999 110.373 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -68.31 -36.06 78.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.318 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 70.7 t -63.83 -42.65 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.346 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.658 HG23 ' O ' ' C' ' 4' ' ' LEU . 80.5 t -61.05 -44.24 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.016 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.74 -42.23 88.33 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.17999999999999999 109.587 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.57 98.4 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.3 -43.27 98.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.957 0.408 . . . . 0.0 110.457 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.9 -44.59 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.558 . . . . 0.29999999999999999 109.677 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.25 -43.92 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.02 110.064 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.4 t-20 -61.03 -46.09 92.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.796 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.34 -43.98 92.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.18 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.81 99.62 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' GLN . . . . . 0.485 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.3 mm-40 -63.11 -43.28 98.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.433 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.39 -49.38 78.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.786 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -60.45 -47.19 87.2 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 80.8 p -54.85 -44.47 73.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.06 -41.86 98.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.701 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.644 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.05 -48.83 77.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -59.64 -40.41 87.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.532 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.98 93.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.699 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.5 90.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.566 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.45 -45.7 93.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.411 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.47 -41.96 73.69 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.14 -41.89 93.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.969 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.5 94.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.788 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.86 -29.88 69.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.13 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -83.25 -4.92 58.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.474 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.25 18.1 67.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -99.37 79.51 2.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.75 0.31 . . . . 0.0 110.284 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.02 -34.17 77.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.558 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.39 80.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 0.0 110.685 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.7 -35.2 80.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.417 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.73 -48.31 79.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.467 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.67 -42.75 99.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.61 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.29 99.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.742 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.5 mtt -65.68 -42.16 91.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.06 -41.27 97.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.668 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.64 -46.98 85.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.428 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.55 -41.68 99.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.303 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.6 m -60.15 -45.76 91.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.469 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -61.03 -42.42 98.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.369 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 54.3 ttp -61.06 -43.93 98.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.88 98.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' C' ' 18' ' ' ALA . 96.9 mt -65.96 -39.56 90.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.729 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.14 -41.91 97.59 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.319 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.58 -40.36 92.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.029 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.496 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.43 -44.02 84.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.447 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.553 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 85.3 t60 -62.31 -38.04 87.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.089999999999999997 110.322 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.11 -44.19 97.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.311 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.56 -42.92 94.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.023 0.44 . . . . 0.0 109.959 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.476 ' NE2' HD23 ' C' ' 74' ' ' LEU . 63.5 tp60 -60.07 -43.68 95.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.257 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.898 HG21 HG22 ' D' ' 356' ' ' THR . 15.5 m -56.56 -42.81 79.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.059999999999999998 110.113 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.99 -40.49 93.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.468 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.518 HD22 HD22 ' C' ' 4' ' ' LEU . 95.3 mt -67.56 -38.94 84.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.8 -39.48 77.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.059999999999999998 110.84 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.504 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' C' ' 72' ' ' LEU . 41.5 mt . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 120.62 0.248 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.574 HG13 HG21 ' C' ' 8' ' ' VAL . 74.5 t -65.47 -46.77 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 130.179 3.392 . . . . 0.0 110.604 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.476 HD23 ' NE2' ' C' ' 55' ' ' GLN . 78.4 mt -66.52 -40.93 89.42 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.207 -0.451 . . . . 0.11 110.924 178.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 51.6 t -61.07 -47.95 91.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.792 -0.64 . . . . 0.40000000000000002 110.147 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.595 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 11.8 t-160 -59.1 -46.48 88.19 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.891 -0.324 . . . . 1.02 110.274 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.25 96.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.908 0.385 . . . . 0.059999999999999998 110.477 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.92 -40.7 98.4 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0900000000000001 110.232 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.479 ' O ' HG23 ' C' ' 83' ' ' THR . 50.1 tp -56.96 -45.02 83.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.444 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.595 ' CE1' ' NE2' ' C' ' 76' ' ' HIS . 58.7 m170 -67.05 -47.08 72.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.323 -0.399 . . . . 0.080000000000000002 110.69 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.67 -45.8 92.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.8 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -62.67 -43.49 98.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.393 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.479 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.5 p -65.01 -48.43 73.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.167 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -61.85 -49.38 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.603 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.46 -48.39 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.484 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.54 -44.96 96.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.2 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.11 -47.95 83.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.97 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -57.69 -45.83 85.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.218 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -61.06 -43.71 98.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.912 0.387 . . . . 0.0 110.153 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.61 -42.89 95.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.084 0.469 . . . . 0.0 109.996 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.644 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.1 mt -59.91 -42.26 88.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.347 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 78.4 m -57.64 -45.08 85.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.107 0.479 . . . . 0.0 110.027 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.8 -43.71 95.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.459 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 82.2 mt -59.52 -43.67 93.37 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.17 -43.03 95.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.551 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -60.52 -39.85 89.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.721 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' C' ' 97' ' ' LEU . 84.2 mt -62.01 -42.23 98.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.91 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 69.9 m80 -59.19 -40.09 84.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.707 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.3 tt0 -62.77 -39.83 95.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.116 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.33 -39.14 93.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.187 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.39 -42.66 96.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 102' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' C' ' 99' ' ' GLU . 88.6 tttt -90.58 131.35 36.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.498 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.533 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.531 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.856 0.836 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 143.02 36.72 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.02 156.34 38.61 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.014 -1.054 . . . . 0.0 109.501 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.22 28.51 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.92 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.009 -1.057 . . . . 0.0 108.379 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.3 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.67 136.57 37.0 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 122.183 0.992 . . . . 0.0 110.133 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.96 114.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -107.0 -4.21 19.26 Favored 'General case' 0 C--N 1.265 -3.079 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.82 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.59 141.84 85.63 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 119.739 -1.85 . . . . 0.0 110.59 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -45.54 -47.64 13.02 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 124.771 3.648 . . . . 0.0 114.131 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.553 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 98.3 m-20 -102.11 27.5 6.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 116.066 -2.254 . . . . 0.0 108.702 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.0 -130.17 32.85 Favored Glycine 0 N--CA 1.497 2.731 0 C-N-CA 117.702 -2.19 . . . . 0.0 109.599 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.765 HD11 HD23 ' D' ' 384' ' ' LEU . 3.9 tp -122.87 76.03 1.33 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.954 -1.321 . . . . 0.0 109.495 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -81.87 175.82 10.09 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 117.957 -1.497 . . . . 0.0 112.128 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 47.9 p -24.24 -70.68 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.255 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.439 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 8.1 ttt-85 -44.84 -64.81 0.75 Allowed Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.525 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.69 -32.06 57.99 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.031 1.821 . . . . 0.0 111.466 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.449 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.06 -38.83 86.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.223 -0.923 . . . . 0.0 109.489 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.7 72.28 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.89 -39.43 94.17 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.031 -1.468 . . . . 0.0 109.496 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.7 -45.3 93.4 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.583 1.182 . . . . 0.0 108.681 -177.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.449 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.9 t -62.72 -42.19 95.23 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.267 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.639 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -63.89 -40.32 96.24 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.327 -0.858 . . . . 0.0 109.762 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.528 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.74 -39.76 80.18 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.503 -0.748 . . . . 0.0 109.525 177.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.02 91.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.637 -1.29 . . . . 0.0 109.455 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.32 -16.08 42.27 Favored 'General case' 0 N--CA 1.511 2.587 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.01 -10.51 86.22 Favored Glycine 0 N--CA 1.478 1.439 0 O-C-N 119.896 -1.753 . . . . 0.0 109.351 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.49 143.3 32.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.258 -1.731 . . . . 0.0 110.045 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.57 -30.09 59.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.249 -0.907 . . . . 0.0 112.32 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.55 10.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 119.826 -1.796 . . . . 0.0 112.802 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.36 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 171.248 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.2 mt -126.67 136.61 60.3 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.486 0 CA-C-O 122.211 1.005 . . . . 0.0 109.334 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.96 143.2 51.01 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-O 123.097 1.427 . . . . 0.0 109.912 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' D' ' 344' ' ' ALA . 84.9 t -108.18 129.91 61.64 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.721 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 173.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.4 119.57 26.48 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.791 -1.193 . . . . 0.0 108.956 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.6 39.25 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.58 -0.7 . . . . 0.0 109.917 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.72 38.97 24.32 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.877 -1.139 . . . . 0.0 112.767 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.7 10.98 83.54 Favored Glycine 0 N--CA 1.501 2.976 0 O-C-N 119.921 -1.737 . . . . 0.0 112.5 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 177.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.77 158.54 33.06 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-O 123.791 1.758 . . . . 0.0 112.453 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.37 31.41 Favored 'General case' 0 C--N 1.278 -2.534 0 CA-C-N 112.515 -2.13 . . . . 0.0 108.575 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 136.05 48.83 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.06 -6.69 47.27 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.751 -1.218 . . . . 0.0 110.755 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.58 13.09 31.3 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.664 -1.273 . . . . 0.0 109.384 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 69.0 m -133.09 104.23 6.42 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 122.206 1.003 . . . . 0.0 110.12 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.28 -37.96 73.19 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.902 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -58.81 -51.47 69.88 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.554 -1.341 . . . . 0.0 113.062 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.43 70.6 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.597 -1.939 . . . . 0.0 109.206 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.75 -33.77 75.83 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.947 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.504 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.76 -10.34 51.83 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.622 -0.674 . . . . 0.0 109.95 -177.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.2 p -89.81 -7.76 53.63 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 118.129 -1.428 . . . . 0.0 110.884 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.37 159.32 15.31 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.182 -0.949 . . . . 0.0 110.153 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.64 104.84 2.96 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.4 mt -119.56 47.39 1.72 Allowed 'General case' 0 C--N 1.309 -1.166 0 O-C-N 120.64 -1.506 . . . . 0.0 107.417 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.898 HG22 HG21 ' C' ' 56' ' ' THR . 5.0 p -81.46 172.51 13.43 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.211 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.67 140.87 57.31 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.847 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.19 78.78 Favored Glycine 0 N--CA 1.501 2.988 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.328 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.47 135.87 34.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.896 -1.355 . . . . 0.0 110.625 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.7 t -96.47 123.71 48.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.23 160.08 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.388 -1.725 . . . . 0.0 110.606 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.2 m -108.92 128.29 54.8 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.487 -1.383 . . . . 0.0 107.597 175.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.74 121.44 60.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 176.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.29 50.72 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.596 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.44 47.16 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 118.526 -1.27 . . . . 0.0 109.786 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.84 6.45 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 118.529 -1.269 . . . . 0.0 108.049 178.204 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.16 -170.4 40.13 Favored Glycine 0 C--N 1.296 -1.676 0 C-N-CA 118.015 -2.041 . . . . 0.0 110.327 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.34 -40.52 82.39 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-N 114.351 -0.924 . . . . 0.0 112.257 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.08 36.76 3.56 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 115.877 -2.329 . . . . 0.0 108.572 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.56 65.73 Favored 'General case' 0 N--CA 1.522 3.139 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.452 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.96 -45.62 26.92 Favored 'General case' 0 N--CA 1.51 2.54 0 O-C-N 119.566 -1.959 . . . . 0.0 110.923 -176.514 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.7 97.73 Favored 'General case' 0 C--N 1.283 -2.297 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.44 77.85 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 117.486 -1.686 . . . . 0.0 110.04 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.0 t -66.9 -42.14 88.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-O 122.241 1.019 . . . . 0.0 109.282 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.86 -47.96 76.39 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.112 0.958 . . . . 0.0 108.751 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.7 -38.37 76.93 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.727 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.44 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.2 mt -75.65 -28.57 58.81 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.345 -1.472 . . . . 0.0 110.9 -174.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.46 70.95 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.26 62.89 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.528 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.3 -45.14 84.47 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.484 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.48 -37.25 85.22 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.866 -1.146 . . . . 0.0 111.53 -177.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.88 61.59 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.056 -1.027 . . . . 0.0 110.242 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.77 -32.28 46.49 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.49 -0.756 . . . . 0.0 111.422 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.765 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.16 125.53 12.53 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.364 2.031 . . . . 0.0 112.846 178.711 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.82 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.9 mm-40 . . . . . 0 C--N 1.278 -2.54 0 CA-C-N 111.121 -2.763 . . . . 0.0 110.156 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.4 mt . . . . . 0 N--CA 1.456 -0.163 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -63.68 -49.01 74.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.864 0.364 . . . . 1.9399999999999999 110.229 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.0 -37.36 84.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 58' ' ' LEU . 71.9 t -64.29 -42.32 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.349 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 4' ' ' LEU . 54.1 t -60.18 -46.18 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.937 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -59.47 -41.07 88.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.487 -0.56 . . . . 0.17999999999999999 109.487 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.74 -42.57 97.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.69 -43.35 99.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.199 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.93 -44.22 99.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 0.20000000000000001 109.803 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.428 HD13 ' HD2' ' D' ' 324' ' ' LYS . 88.5 mt -64.07 -44.25 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.926 -0.579 . . . . 0.01 109.968 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -61.35 -47.21 86.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.777 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.61 -44.04 93.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.997 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.576 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.44 -42.89 98.91 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.04 -42.44 99.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -49.09 78.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.846 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.43 -46.55 89.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.511 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 65.0 m -54.88 -44.12 73.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.06 -42.53 99.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.703 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.687 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.73 -49.92 75.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -59.47 -42.83 92.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.62 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.15 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.716 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.92 85.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.696 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.31 -44.76 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.429 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -55.89 -41.87 75.13 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.44 -40.88 96.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.827 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.55 95.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.774 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.9 -29.07 69.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.093 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.28 -4.81 54.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.47 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.7 14.04 71.26 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.7 79.85 2.74 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 110.294 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -64.71 -34.94 79.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.703 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.12 80.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.083 0.468 . . . . 0.0 110.735 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.47 80.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.321 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.84 81.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.557 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.24 -42.38 99.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.629 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.43 99.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.793 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -65.34 -40.17 93.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.479 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.402 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 91.2 mmm -64.1 -40.6 96.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.91 -43.82 98.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 110.547 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.44 -41.57 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.202 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -60.58 -45.79 92.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.629 ' NH2' HH12 ' A' ' 88' ' ' ARG . 63.1 ttm-85 -60.03 -42.68 94.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.336 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.5 ttp -60.38 -43.04 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.176 0.513 . . . . 0.0 110.633 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.96 98.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.218 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 48' ' ' LEU . 91.8 mt -65.75 -39.54 91.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.694 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -61.47 -41.88 97.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.288 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.56 -39.93 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.199 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.78 -44.11 78.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.402 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.98 -39.28 89.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.089999999999999997 110.399 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.66 -44.2 96.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.6 t -64.31 -43.41 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.053 0.454 . . . . 0.0 110.082 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -59.7 -43.38 94.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.235 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -55.06 -44.59 74.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.047 0.451 . . . . 0.059999999999999998 110.086 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.95 -41.43 96.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.537 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.503 HD11 HG11 ' A' ' 7' ' ' VAL . 84.6 mt -66.85 -38.7 86.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.659 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.08 -40.43 87.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.52 . . . . 0.050000000000000003 110.847 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.444 -179.33 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 75' ' ' VAL . 68.2 p . . . . . 0 C--O 1.227 -0.103 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' N ' HD11 ' B' ' 72' ' ' LEU . 7.8 tt -57.28 -44.43 83.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.63 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.598 ' CG1' HG21 ' A' ' 8' ' ' VAL . 56.1 t -62.77 -46.94 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.9 0.381 . . . . 0.0 110.577 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 74' ' ' LEU . 93.9 mt -62.13 -38.81 90.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.016 0.436 . . . . 0.11 110.891 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 71' ' ' SER . 53.2 t -58.01 -46.17 87.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.762 -0.654 . . . . 0.38 110.163 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -58.25 -43.98 88.13 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.348 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.6 98.09 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.794 0.331 . . . . 0.059999999999999998 110.657 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.568 ' OE1' ' CD2' ' B' ' 76' ' ' HIS . 56.9 tt0 -60.67 -39.58 88.91 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.195 -0.457 . . . . 1.0900000000000001 110.187 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 83' ' ' THR . 41.9 tp -55.23 -45.8 75.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.462 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.414 ' O ' ' OG1' ' A' ' 83' ' ' THR . 69.7 m-70 -66.46 -46.03 77.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.239 -0.437 . . . . 0.080000000000000002 110.739 179.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.42 -46.14 91.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.815 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.12 -43.83 98.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.212 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 79' ' ' LEU . 23.4 p -61.48 -44.8 96.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.102 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.41 -49.57 74.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.495 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.0 ttp -57.34 -49.0 77.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.521 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.46 -44.94 95.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.146 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.17 85.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.846 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.629 HH12 ' NH2' ' A' ' 45' ' ' ARG . 71.5 ttp85 -58.38 -45.96 87.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.183 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -61.42 -43.92 98.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.08 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.73 -41.95 97.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.12 0.485 . . . . 0.0 109.843 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.687 HD12 ' HB1' ' A' ' 22' ' ' ALA . 72.0 mt -59.21 -41.01 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.251 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.402 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.2 m -56.89 -45.18 82.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.22 -43.85 96.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.568 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 94' ' ' LEU . 86.7 mt -59.46 -42.98 93.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.71 -42.69 95.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.5 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.27 -39.32 92.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 97' ' ' LEU . 84.3 mt -62.86 -41.32 99.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.834 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.78 -40.56 88.7 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.98 -39.29 89.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.152 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.31 -35.91 82.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.269 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.449 179.559 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.6 mt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.596 0.236 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -63.88 -49.0 74.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 1.9399999999999999 110.337 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -66.83 -37.46 84.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.215 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.513 HG11 HD11 ' B' ' 58' ' ' LEU . 73.2 t -64.24 -42.57 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 4' ' ' LEU . 53.5 t -59.99 -45.95 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.878 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.79 -40.65 89.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.565 -0.531 . . . . 0.17999999999999999 109.565 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.22 -42.64 96.22 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.54 -43.29 99.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.788 0.327 . . . . 0.0 110.376 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.22 -44.35 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.28999999999999998 109.696 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.77 -44.31 98.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 0.02 109.893 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -61.53 -46.72 88.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.858 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.3 t -59.97 -43.99 94.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.082 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.56 -42.51 98.84 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.27 -42.53 99.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.9 79.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.921 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.66 -46.39 90.5 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.4 m -54.86 -43.83 73.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.41 -42.67 98.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.691 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.669 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -59.75 -42.76 93.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.692 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.96 91.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.702 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.67 86.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.589 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.2 -45.13 95.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.328 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -55.86 -41.63 74.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.76 -40.95 96.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.882 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.74 95.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.75 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.75 -29.32 70.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.099 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.28 -4.55 53.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.401 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.64 13.62 72.41 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -97.26 80.01 2.87 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.784 0.326 . . . . 0.0 110.358 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -65.03 -34.88 79.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.645 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.45 79.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.052 0.453 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.14 79.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.415 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.96 80.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.512 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.11 -42.58 99.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.81 0.338 . . . . 0.0 110.587 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.81 99.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.1 -40.71 94.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.493 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.402 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 91.2 mmm -63.41 -40.77 98.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.88 -43.84 98.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.16 -41.75 99.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.306 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -60.56 -45.9 92.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.477 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.617 ' NH2' HH12 ' B' ' 88' ' ' ARG . 63.0 ttm-85 -59.81 -43.01 94.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.282 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 51.8 ttp -60.06 -43.18 95.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.249 0.547 . . . . 0.0 110.669 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.77 98.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.192 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 48' ' ' LEU . 90.9 mt -66.05 -39.79 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.714 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -60.9 -42.16 97.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.341 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.61 -39.97 94.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.116 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.25 78.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.478 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -61.0 -39.33 89.31 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.089999999999999997 110.268 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 53' ' ' LEU . 44.0 mt -60.56 -44.61 95.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.96 -43.64 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.999 0.428 . . . . 0.0 109.945 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -59.58 -43.3 93.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.264 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -55.29 -44.69 75.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.059999999999999998 109.932 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.78 -41.41 95.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.917 0.389 . . . . 0.0 110.513 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.513 HD11 HG11 ' B' ' 7' ' ' VAL . 84.9 mt -66.97 -38.26 85.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.4 -40.34 86.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.085 -0.507 . . . . 0.040000000000000001 110.692 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.29 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.577 ' O ' HG23 ' B' ' 75' ' ' VAL . 86.5 p . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 121.084 0.468 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.401 HD11 ' N ' ' A' ' 72' ' ' LEU . 7.6 tt -59.74 -43.94 94.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.574 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.585 ' CG1' HG21 ' B' ' 8' ' ' VAL . 53.0 t -62.13 -46.82 95.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.575 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.99 -38.36 88.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.11 110.957 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 71' ' ' SER . 53.8 t -58.19 -46.22 88.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.825 -0.625 . . . . 0.38 110.293 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.568 ' CD2' ' OE1' ' A' ' 78' ' ' GLN . 59.4 t-80 -58.55 -43.67 89.38 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.809 -0.356 . . . . 1.1100000000000001 110.251 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.21 97.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.847 0.356 . . . . 0.059999999999999998 110.404 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.59 ' OE1' ' CD2' ' C' ' 76' ' ' HIS . 57.2 tt0 -61.11 -39.36 89.71 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.0900000000000001 110.229 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 83' ' ' THR . 40.5 tp -55.68 -45.51 77.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.401 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' B' ' 83' ' ' THR . 69.5 m-70 -66.62 -45.66 78.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.366 -0.379 . . . . 0.080000000000000002 110.739 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.69 -46.53 89.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -60.46 -44.1 96.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.245 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.6 p -61.41 -44.68 96.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.49 -49.27 76.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.599 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 64.9 ttp -57.62 -48.77 78.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.429 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.67 -44.65 96.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.058 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.16 -46.49 88.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.879 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.617 HH12 ' NH2' ' B' ' 45' ' ' ARG . 71.8 ttp85 -58.67 -46.25 87.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.279 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -61.21 -43.89 98.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.184 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.82 -41.82 97.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.147 0.499 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.669 HD12 ' HB1' ' B' ' 22' ' ' ALA . 70.2 mt -59.27 -40.92 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.237 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.402 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 17.7 m -56.91 -45.25 82.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.07 0.462 . . . . 0.0 109.889 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.33 -43.78 96.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.471 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.28 -43.37 92.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.41 -42.95 95.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.499 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -61.8 -40.01 93.74 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.3 -41.52 98.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.869 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -59.64 -40.44 87.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.25 -39.22 89.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.123 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.49 -35.54 81.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.189 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.363 179.751 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.652 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.4 mt . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.584 0.231 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -63.81 -49.25 73.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.825 0.345 . . . . 1.9399999999999999 110.36 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -66.6 -37.5 85.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.34 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.484 HG11 HD11 ' C' ' 58' ' ' LEU . 72.3 t -64.13 -42.37 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.406 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.652 HG23 ' O ' ' C' ' 4' ' ' LEU . 54.6 t -60.23 -45.98 95.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.982 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.72 -40.92 89.59 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.59 -0.522 . . . . 0.17999999999999999 109.59 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.71 96.81 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.31 -43.46 98.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 0.0 110.361 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.08 -44.3 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.29999999999999999 109.687 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.79 -44.19 98.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.02 110.013 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -61.51 -46.79 88.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.793 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.9 t -59.91 -44.12 94.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.183 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.55 -42.41 98.89 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -63.26 -42.78 99.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.97 78.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.778 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.69 -46.61 89.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.1 m -54.54 -44.11 72.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.23 -42.73 99.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.705 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.672 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.51 -49.66 76.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.99 -42.86 95.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.551 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.17 91.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.722 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.01 86.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.632 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.91 -45.02 96.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.369 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -55.85 -41.72 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.84 -40.26 94.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.897 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.76 98.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.82 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.65 -29.09 69.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.046 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.23 -4.8 54.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.414 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.79 13.98 71.15 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -97.87 79.94 2.7 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.29 . . . . 0.0 110.286 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -64.99 -34.81 79.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.579 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.38 79.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.022 0.439 . . . . 0.0 110.665 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.73 -35.07 79.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.395 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.11 79.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.491 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.72 -43.02 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.615 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.74 99.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.711 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.8 mmm -64.97 -40.8 95.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.33 -40.97 98.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.74 -44.03 97.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.452 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.98 -41.68 99.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.306 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -60.78 -45.75 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.565 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.615 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.9 ttm-85 -60.02 -42.67 94.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.33 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 52.6 ttp -60.37 -43.08 96.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.349 0.595 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.15 98.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.349 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.69 -39.79 91.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.691 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -61.16 -42.11 97.96 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.402 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -64.25 -40.17 95.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.001 0.429 . . . . 0.0 110.038 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.23 79.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.421 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.91 -39.46 89.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.056 -0.52 . . . . 0.089999999999999997 110.328 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.91 -44.13 97.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.317 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.07 -43.49 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.981 0.419 . . . . 0.0 110.017 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -59.75 -43.37 94.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.856 HG21 ' CG2' ' D' ' 356' ' ' THR . 19.0 m -55.07 -44.73 75.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.408 . . . . 0.059999999999999998 110.167 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.86 -41.2 95.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.886 0.374 . . . . 0.0 110.462 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.484 HD11 HG11 ' C' ' 7' ' ' VAL . 84.7 mt -67.02 -38.57 86.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.25 -40.18 86.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.975 -0.557 . . . . 0.059999999999999998 110.829 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.2 mm-40 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 tt . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.624 0.249 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.553 ' CG1' HG21 ' C' ' 8' ' ' VAL . 51.3 t -63.03 -46.65 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 130.1 3.36 . . . . 0.0 110.593 -177.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.59 -37.72 88.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.057 0.456 . . . . 0.11 110.979 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.89 -46.63 91.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.793 -0.639 . . . . 0.40000000000000002 110.169 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.59 ' CD2' ' OE1' ' B' ' 78' ' ' GLN . 59.7 t-80 -58.57 -44.03 89.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.895 -0.322 . . . . 1.02 110.316 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.04 98.38 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.932 0.396 . . . . 0.059999999999999998 110.514 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.13 -39.81 91.43 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.159 -0.473 . . . . 1.0900000000000001 110.236 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.507 ' O ' HG23 ' C' ' 83' ' ' THR . 39.7 tp -55.18 -45.94 75.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.485 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.419 ' O ' ' OG1' ' C' ' 83' ' ' THR . 70.0 m-70 -66.36 -45.81 78.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.364 -0.38 . . . . 0.080000000000000002 110.742 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.41 -46.54 89.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.816 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -60.83 -43.29 98.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.368 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.507 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.6 p -62.13 -44.69 96.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.203 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -62.3 -49.5 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.24 -49.21 76.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.767 0.318 . . . . 0.0 110.514 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.46 -44.35 95.94 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.156 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.44 88.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.945 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.615 HH12 ' NH2' ' C' ' 45' ' ' ARG . 71.7 ttp85 -58.89 -46.12 88.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.189 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.04 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.164 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.57 -41.88 98.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.113 0.482 . . . . 0.0 110.026 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.672 HD12 ' HB1' ' C' ' 22' ' ' ALA . 72.3 mt -59.0 -41.16 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.386 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 17.0 m -56.7 -45.39 81.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.096 0.474 . . . . 0.0 109.955 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.26 -43.7 97.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.533 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.21 -43.03 92.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.79 -42.78 95.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.531 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -61.79 -40.0 93.69 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.33 -41.69 98.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.856 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -59.39 -40.73 87.49 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.05 -39.42 89.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.12 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.17 -35.57 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.256 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt -81.41 -3.28 52.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.32 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 57.13 22.96 8.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.539 179.725 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.542 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.865 0.841 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.79 143.02 36.68 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 178.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.26 38.51 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.956 -1.09 . . . . 0.0 109.545 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.3 mm-40 -152.1 149.24 28.59 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.37 18.93 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.038 -1.039 . . . . 0.0 108.416 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.86 144.27 19.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.66 136.56 37.02 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 122.153 0.978 . . . . 0.0 110.155 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.95 114.29 24.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.91 -4.28 19.33 Favored 'General case' 0 C--N 1.265 -3.1 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.81 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.87 85.89 Favored Pre-proline 0 N--CA 1.499 2.0 0 O-C-N 119.633 -1.917 . . . . 0.0 110.614 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -45.53 -47.73 12.89 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 124.776 3.651 . . . . 0.0 114.085 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -102.1 27.57 6.52 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 116.075 -2.25 . . . . 0.0 108.837 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.85 -126.35 26.62 Favored Glycine 0 N--CA 1.496 2.691 0 C-N-CA 117.653 -2.213 . . . . 0.0 109.597 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.54 77.28 1.78 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.923 -1.339 . . . . 0.0 109.511 -176.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -85.24 176.97 8.02 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 117.852 -1.539 . . . . 0.0 112.109 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.485 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 13.5 p -21.76 -72.05 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.576 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.7 ttt-85 -44.4 -66.3 0.49 Allowed Pre-proline 0 N--CA 1.493 1.714 0 C-N-CA 120.136 -0.626 . . . . 0.0 112.542 -177.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.21 -32.19 62.96 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.55 1.5 . . . . 0.0 111.522 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.511 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.81 86.73 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.201 -0.937 . . . . 0.0 109.543 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.88 -39.75 72.67 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.91 -39.45 94.19 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 118.072 -1.451 . . . . 0.0 109.488 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.66 -45.38 93.09 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 122.607 1.194 . . . . 0.0 108.687 -177.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.606 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.6 t -62.61 -42.22 95.14 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.693 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.428 ' HD2' HD13 ' A' ' 13' ' ' ILE . 35.4 mttm -63.97 -40.19 95.83 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.27 -0.894 . . . . 0.0 109.742 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.529 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.84 -39.62 79.83 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.401 -0.812 . . . . 0.0 109.541 178.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.02 91.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.611 -1.305 . . . . 0.0 109.44 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 327' ' ' LYS . . . . . 0.606 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.8 mttp -61.33 -16.22 43.77 Favored 'General case' 0 N--CA 1.512 2.637 0 O-C-N 121.321 -0.862 . . . . 0.0 113.278 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.54 86.14 Favored Glycine 0 N--CA 1.479 1.551 0 O-C-N 119.889 -1.757 . . . . 0.0 109.263 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.46 143.34 32.84 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.313 -1.698 . . . . 0.0 110.015 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.59 -30.12 59.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.234 -0.916 . . . . 0.0 112.365 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.67 158.49 10.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.791 -1.818 . . . . 0.0 112.821 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.2 35.35 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 102.888 -3.004 . . . . 0.0 102.888 171.2 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.7 136.64 60.21 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.424 0 CA-C-O 122.25 1.024 . . . . 0.0 109.258 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.98 143.18 51.03 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-O 123.121 1.438 . . . . 0.0 109.987 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.9 t -108.12 130.0 61.39 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 173.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.56 119.58 26.3 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.891 -1.131 . . . . 0.0 108.901 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.58 39.2 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.878 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.8 38.9 24.41 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.914 -1.116 . . . . 0.0 112.784 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 11.09 83.46 Favored Glycine 0 N--CA 1.503 3.11 0 O-C-N 119.968 -1.708 . . . . 0.0 112.526 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.92 136.23 54.59 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.77 158.51 33.15 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 123.786 1.755 . . . . 0.0 112.395 -175.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.36 31.33 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 112.457 -2.156 . . . . 0.0 108.592 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.53 136.01 49.01 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 173.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.436 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.05 -6.77 47.8 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.718 -1.239 . . . . 0.0 110.699 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.5 12.92 31.71 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.669 -1.269 . . . . 0.0 109.353 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 67.1 m -133.05 104.12 6.37 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.151 0.977 . . . . 0.0 110.179 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.29 -37.77 72.95 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.941 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -59.0 -51.34 70.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.583 -1.323 . . . . 0.0 113.03 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.38 70.4 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 119.54 -1.975 . . . . 0.0 109.196 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.82 -33.73 75.84 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.959 -1.096 . . . . 0.0 109.948 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.509 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.65 -10.52 52.99 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.649 -0.657 . . . . 0.0 109.923 -177.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.6 p -89.72 -7.71 53.93 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 118.074 -1.451 . . . . 0.0 110.947 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.42 159.34 15.29 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.268 -0.895 . . . . 0.0 110.159 -178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.9 2.97 Favored Glycine 0 N--CA 1.484 1.861 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 355' ' ' LEU . . . . . 0.448 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.1 mt -119.57 47.3 1.74 Allowed 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.709 -1.465 . . . . 0.0 107.413 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.856 ' CG2' HG21 ' C' ' 56' ' ' THR . 80.8 p -81.44 172.55 13.39 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 118.776 -1.169 . . . . 0.0 109.223 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.73 140.92 57.37 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.825 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.49 -3.2 78.77 Favored Glycine 0 N--CA 1.5 2.932 0 C-N-CA 120.031 -1.081 . . . . 0.0 111.368 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.44 135.91 34.07 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.849 -1.383 . . . . 0.0 110.625 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.58 123.69 48.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.11 160.05 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 C-N-CA 117.423 -1.711 . . . . 0.0 110.631 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.87 128.41 54.89 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 120.544 -1.348 . . . . 0.0 107.603 175.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.6 mt -107.87 121.41 60.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 176.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 364' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.61 147.23 50.71 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.722 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.542 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.81 6.43 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 118.6 -1.24 . . . . 0.0 108.029 178.151 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.3 40.13 Favored Glycine 0 C--N 1.295 -1.714 0 C-N-CA 118.007 -2.044 . . . . 0.0 110.385 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.35 -40.63 82.71 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.43 -0.885 . . . . 0.0 112.199 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.06 36.76 3.56 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 115.878 -2.329 . . . . 0.0 108.574 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.55 65.77 Favored 'General case' 0 N--CA 1.522 3.162 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -174.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.447 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.61 27.53 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 119.577 -1.952 . . . . 0.0 110.972 -176.55 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.75 97.77 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -58.99 -49.6 77.27 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.47 -1.692 . . . . 0.0 110.09 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.79 -42.22 88.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-O 122.201 1.0 . . . . 0.0 109.297 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.88 -47.88 76.57 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 122.086 0.946 . . . . 0.0 108.71 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.85 -38.35 76.46 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.684 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.437 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.58 -28.6 59.01 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.414 -1.429 . . . . 0.0 110.866 -174.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -39.57 71.54 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.457 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.86 -49.2 63.42 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.529 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.29 -45.23 84.31 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.976 -1.089 . . . . 0.0 110.538 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.28 85.12 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.862 -1.149 . . . . 0.0 111.535 -177.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.85 61.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.116 -0.99 . . . . 0.0 110.281 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.83 -32.29 46.12 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.583 -0.698 . . . . 0.0 111.364 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.46 12.29 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 124.276 1.989 . . . . 0.0 112.946 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.81 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.4 mt-10 . . . . . 0 C--N 1.276 -2.591 0 CA-C-N 111.172 -2.74 . . . . 0.0 110.121 -177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.6 mt . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -62.9 -50.13 72.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.917 0.389 . . . . 1.9399999999999999 110.365 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.37 -36.39 79.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.243 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.501 HG11 HD11 ' A' ' 58' ' ' LEU . 85.8 t -64.72 -43.31 96.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 4' ' ' LEU . 72.0 t -60.79 -44.56 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.895 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.9 mtp -58.75 -41.24 86.06 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.516 -0.549 . . . . 0.17999999999999999 109.516 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.63 96.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.264 -1.135 . . . . 0.0 110.264 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.432 HD13 ' OE1' ' A' ' 55' ' ' GLN . 84.0 mt -62.97 -43.14 99.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.207 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.12 -44.44 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.004 -0.544 . . . . 0.20000000000000001 109.773 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.488 HD13 ' NZ ' ' D' ' 324' ' ' LYS . 90.0 mt -63.52 -43.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.01 109.983 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -61.13 -46.8 89.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.784 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -59.9 -44.46 94.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.924 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.52 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -62.14 -42.55 99.73 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -63.28 -42.25 99.07 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.496 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.65 -49.87 75.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.47 -46.3 90.58 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -54.33 -44.18 71.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.84 -42.43 99.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.636 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -59.15 -50.91 72.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.35 -42.95 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.596 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.72 95.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.717 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.39 85.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.633 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.86 -45.39 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.499 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.98 -42.73 76.79 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -60.95 -41.71 96.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.94 95.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.74 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.79 -29.89 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.171 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -82.75 -4.35 57.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.486 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.56 17.47 70.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -98.45 79.62 2.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.783 0.325 . . . . 0.0 110.303 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -64.58 -34.11 77.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.727 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.49 78.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.027 0.441 . . . . 0.0 110.664 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.07 83.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.64 -47.84 81.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.613 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.88 -43.32 99.08 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.666 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.77 98.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.1 mmm -65.98 -40.45 91.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.554 ' HE3' HG23 ' A' ' 92' ' ' THR . 94.0 mtp -62.79 -41.19 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.594 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.29 -43.32 99.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.94 -40.24 97.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.222 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t -61.59 -46.82 88.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.559 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 76.7 ttt180 -59.13 -43.12 91.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.37 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.532 ' SD ' ' C ' ' A' ' 46' ' ' MET . 18.7 tmm? -60.12 -43.96 95.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.174 0.511 . . . . 0.0 110.576 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.54 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.187 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.496 HD21 ' CB ' ' A' ' 18' ' ' ALA . 89.4 mt -65.37 -40.3 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.676 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 52.4 t-20 -60.87 -42.21 97.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.237 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.07 -39.81 93.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.191 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -46.05 74.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.486 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.55 -39.68 88.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.044 -0.525 . . . . 0.089999999999999997 110.412 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.16 -43.76 95.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.326 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.64 -43.51 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.035 0.445 . . . . 0.0 110.083 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.432 ' OE1' HD13 ' A' ' 11' ' ' LEU . 67.1 tp60 -59.52 -44.16 93.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.313 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -57.13 -42.38 80.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.059999999999999998 110.033 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.446 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.501 HD11 HG11 ' A' ' 7' ' ' VAL . 95.9 mt -63.64 -30.79 71.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.66 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -85.71 -32.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.050000000000000003 110.848 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.456 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 75' ' ' VAL . 83.3 p . . . . . 0 C--O 1.226 -0.136 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.11 -42.11 85.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.604 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.596 HG13 HG21 ' A' ' 8' ' ' VAL . 59.3 t -65.9 -46.04 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.956 0.408 . . . . 0.0 110.578 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.46 -42.51 95.91 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.187 -0.46 . . . . 0.11 110.924 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 71' ' ' SER . 54.9 t -59.54 -46.51 92.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.76 -0.654 . . . . 0.38 110.207 -179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -58.33 -45.1 88.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.285 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.48 87.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.512 -0.313 . . . . 0.059999999999999998 110.605 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -62.16 -40.96 97.75 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.207 -0.451 . . . . 1.0900000000000001 110.213 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 83' ' ' THR . 37.5 tp -55.02 -47.06 75.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.421 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -68.6 -45.53 71.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.285 -0.416 . . . . 0.080000000000000002 110.717 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.95 -49.31 76.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.811 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.23 -44.28 96.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.209 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.7 p -61.95 -45.32 94.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.124 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -62.78 -47.49 83.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.458 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.4 tpp -59.05 -48.15 82.63 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.551 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.63 -45.04 95.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.127 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.18 -47.17 81.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.847 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 78.8 ttt-85 -59.36 -44.71 92.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.191 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.62 -46.58 89.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.129 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.09 -42.12 94.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.247 0.546 . . . . 0.0 109.892 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.426 HD13 ' HB1' ' A' ' 22' ' ' ALA . 65.7 mt -60.16 -41.97 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.27 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.554 HG23 ' HE3' ' A' ' 41' ' ' MET . 66.1 m -57.29 -45.91 83.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.469 . . . . 0.0 109.881 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.01 -42.77 99.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.56 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 13.7 mt -60.06 -44.05 94.98 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.4 -43.25 96.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.562 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.494 ' HG2' ' HZ3' ' A' ' 100' ' ' LYS . 83.3 tt0 -59.08 -39.54 82.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.705 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.836 HD21 ' NE2' ' B' ' 98' ' ' HIS . 36.5 mt -61.68 -41.75 97.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.916 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.714 ' NE2' HD21 ' C' ' 97' ' ' LEU . 74.3 m80 -59.01 -39.96 83.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.61 -41.69 97.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.179 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.494 ' HZ3' ' HG2' ' A' ' 96' ' ' GLU . 60.7 mttp -63.19 -37.63 88.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.801 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.742 ' O ' HG23 ' B' ' 8' ' ' VAL . 94.4 mt . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.601 0.239 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.83 -50.11 72.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 1.9399999999999999 110.386 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.25 -36.34 79.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.218 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.5 HG11 HD11 ' B' ' 58' ' ' LEU . 92.3 t -65.13 -43.27 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 4' ' ' LEU . 69.1 t -60.73 -44.4 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.933 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.1 mtp -59.04 -40.82 86.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.611 -0.514 . . . . 0.17999999999999999 109.611 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.44 -42.2 96.0 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.101 -1.199 . . . . 0.0 110.101 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.425 HD13 ' OE1' ' B' ' 55' ' ' GLN . 85.1 mt -63.24 -43.25 98.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.827 0.346 . . . . 0.0 110.325 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.08 -44.5 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.28999999999999998 109.71 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.33 -43.94 98.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 0.02 109.936 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -60.7 -46.59 89.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.868 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.5 t -59.93 -44.58 94.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.131 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.57 99.77 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -63.85 -42.34 97.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.67 -49.96 75.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.914 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.2 -46.33 90.09 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.2 m -54.56 -43.8 72.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.94 -42.43 99.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.727 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.422 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -59.38 -50.74 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.47 -42.9 93.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.704 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.77 95.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.744 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.18 85.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.656 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.97 -45.7 93.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.303 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.97 -42.46 76.29 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -61.23 -41.43 96.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.9 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.68 96.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.666 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.76 -30.14 69.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.057 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.65 -4.61 58.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.83 17.4 70.34 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.43 79.77 2.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.307 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.98 -33.84 77.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.573 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.32 -48.47 77.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.034 0.445 . . . . 0.0 110.781 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.67 81.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.368 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.12 80.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.566 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.73 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.62 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.09 98.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.686 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 84.5 mmm -65.74 -40.45 92.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.534 ' HE3' HG23 ' B' ' 92' ' ' THR . 94.0 mtp -62.69 -41.29 99.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.441 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.03 -40.36 97.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.257 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 42.0 t -61.37 -46.66 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.487 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.49 -42.99 93.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.269 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' B' ' 46' ' ' MET . 18.6 tmm? -60.09 -43.68 95.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.285 0.564 . . . . 0.0 110.613 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.79 97.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.12 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' B' ' 18' ' ' ALA . 89.1 mt -65.2 -40.39 94.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.772 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -60.61 -42.21 96.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.341 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.23 -39.73 93.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.173 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.53 -45.76 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.489 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.83 -39.68 89.96 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.089999999999999997 110.297 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 53' ' ' LEU . 41.1 mt -60.25 -43.89 95.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.375 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.55 -43.6 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.986 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.425 ' OE1' HD13 ' B' ' 11' ' ' LEU . 67.4 tp60 -59.46 -43.97 93.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.216 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -57.6 -41.99 82.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.059999999999999998 109.923 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.73 -39.49 94.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 110.593 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.5 HD11 HG11 ' B' ' 7' ' ' VAL . 95.8 mt -63.98 -30.76 71.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.691 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.9 mt -85.46 -32.38 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.09 -0.505 . . . . 0.040000000000000001 110.789 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.427 ' O ' HG23 ' B' ' 75' ' ' VAL . 89.5 p . . . . . 0 N--CA 1.461 0.075 0 CA-C-O 121.033 0.444 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 39.6 mt -60.02 -42.22 93.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.583 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.571 HG13 HG21 ' B' ' 8' ' ' VAL . 54.6 t -64.72 -45.53 94.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.609 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.61 -42.3 95.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.09 0.471 . . . . 0.11 110.93 -178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 71' ' ' SER . 53.3 t -59.57 -46.61 92.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.785 -0.643 . . . . 0.38 110.286 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -58.25 -45.7 87.33 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.82 -0.352 . . . . 1.1100000000000001 110.32 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.96 91.8 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.903 0.383 . . . . 0.059999999999999998 110.395 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -62.71 -40.83 98.39 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.079 -0.51 . . . . 1.0900000000000001 110.217 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.564 ' O ' HG23 ' B' ' 83' ' ' THR . 37.6 tp -55.35 -47.01 76.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -68.49 -45.66 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.302 -0.408 . . . . 0.080000000000000002 110.747 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.93 -49.54 75.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.03 -44.25 97.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.238 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.6 p -62.09 -45.11 94.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.177 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -62.79 -47.31 84.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.581 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.2 tpp -59.35 -48.24 82.38 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.455 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.35 -45.28 95.05 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.101 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.19 80.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.911 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -59.65 -44.57 93.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.248 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -60.71 -46.59 89.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.154 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.01 -41.68 95.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.156 0.503 . . . . 0.0 110.064 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.422 HD13 ' HB1' ' B' ' 22' ' ' ALA . 67.0 mt -60.73 -41.99 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.141 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.534 HG23 ' HE3' ' B' ' 41' ' ' MET . 72.0 m -57.03 -46.0 82.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.075 0.464 . . . . 0.0 109.921 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.479 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.561 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.0 mt -60.29 -43.76 95.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.89 -43.13 97.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.572 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' GLU . . . . . 0.458 ' HG2' ' HZ3' ' B' ' 100' ' ' LYS . 84.3 tt0 -59.21 -39.49 82.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.748 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.86 HD21 ' NE2' ' C' ' 98' ' ' HIS . 34.7 mt -61.64 -41.81 98.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.845 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.836 ' NE2' HD21 ' A' ' 97' ' ' LEU . 74.3 m80 -58.8 -40.36 83.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.759 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.43 -41.16 96.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.122 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' LYS . . . . . 0.458 ' HZ3' ' HG2' ' B' ' 96' ' ' GLU . 60.7 mttp -63.87 -37.57 87.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.176 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 179.628 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.752 ' O ' HG23 ' C' ' 8' ' ' VAL . 94.8 mt . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.55 -50.51 71.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.796 0.331 . . . . 1.9399999999999999 110.387 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.01 -36.84 80.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.489 HG11 HD11 ' C' ' 58' ' ' LEU . 94.5 t -64.42 -43.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.349 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.752 HG23 ' O ' ' C' ' 4' ' ' LEU . 71.2 t -60.91 -44.46 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.968 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 87.5 mtp -58.84 -40.81 85.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.545 -0.539 . . . . 0.17999999999999999 109.545 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.17 -42.67 96.3 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.417 HD13 ' OE1' ' C' ' 55' ' ' GLN . 85.6 mt -62.95 -42.81 99.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.939 0.399 . . . . 0.0 110.425 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.37 -44.57 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.968 -0.56 . . . . 0.29999999999999999 109.717 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.18 -43.73 98.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.02 110.075 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -61.13 -46.67 89.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.812 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 35.1 t -59.86 -44.55 94.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.189 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.96 99.72 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -63.74 -42.42 97.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.494 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.51 -50.27 74.38 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.92 -46.77 88.3 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -54.22 -44.03 71.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.67 -42.35 99.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.721 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.437 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -59.44 -51.12 71.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.24 -42.9 92.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.493 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.7 95.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.712 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.68 -44.02 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.502 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.37 -45.36 94.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.434 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.95 -43.12 77.17 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -60.79 -41.33 95.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.894 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.59 96.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.843 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.95 -29.93 69.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.11 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.56 -4.58 57.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.447 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.04 17.01 70.75 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.22 79.73 2.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.713 0.292 . . . . 0.0 110.253 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -65.03 -33.94 77.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.629 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.31 -48.26 78.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.015 0.436 . . . . 0.0 110.651 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.75 81.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.436 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.51 82.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.49 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.22 -43.51 98.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.597 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.44 98.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 84.2 mmm -65.37 -40.85 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.564 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.517 ' HE1' HG23 ' C' ' 92' ' ' THR . 94.0 mtp -62.47 -41.23 98.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.668 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -61.38 -43.07 99.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.445 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.18 -40.11 96.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 43.5 t -61.82 -46.2 90.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.518 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.416 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 75.9 ttt180 -59.81 -42.7 94.04 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.311 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 46' ' ' MET . . . . . 0.541 ' C ' ' SD ' ' C' ' 46' ' ' MET . 18.6 tmm? -60.62 -43.39 97.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 110.554 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.96 98.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.344 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.494 HD21 ' CB ' ' C' ' 18' ' ' ALA . 89.2 mt -65.23 -40.42 94.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 49' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 52.0 t-20 -60.78 -42.45 97.53 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.317 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.87 -40.12 94.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.017 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.23 75.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.401 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.44 -39.66 88.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.089999999999999997 110.307 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.53 -43.43 97.15 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.35 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.77 -43.67 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.013 0.435 . . . . 0.0 109.946 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.417 ' OE1' HD13 ' C' ' 11' ' ' LEU . 67.2 tp60 -59.43 -44.21 92.95 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.205 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.754 HG21 HG22 ' D' ' 356' ' ' THR . 18.8 m -57.21 -42.21 80.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.059999999999999998 110.203 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.73 -39.11 93.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.505 HD22 ' CD2' ' C' ' 4' ' ' LEU . 95.7 mt -63.99 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.772 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -85.45 -32.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.935 -0.575 . . . . 0.059999999999999998 110.864 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 CA--C 1.519 -0.231 0 CA-C-O 120.591 0.234 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.558 HG13 HG21 ' C' ' 8' ' ' VAL . 57.0 t -65.42 -46.4 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 130.131 3.372 . . . . 0.0 110.596 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.46 -42.26 87.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.071 0.462 . . . . 0.11 110.975 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.72 -46.88 92.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.792 -0.64 . . . . 0.40000000000000002 110.19 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -58.38 -45.61 87.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.727 0.299 . . . . 1.02 110.338 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.05 90.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.924 0.392 . . . . 0.059999999999999998 110.424 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -62.57 -40.97 98.55 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.196 -0.456 . . . . 1.0900000000000001 110.235 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.569 ' O ' HG23 ' C' ' 83' ' ' THR . 37.5 tp -55.13 -47.12 75.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.452 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -68.64 -45.61 71.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.347 -0.388 . . . . 0.080000000000000002 110.759 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.8 -49.39 76.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.819 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 82' ' ' MET . . . . . 0.551 ' SD ' HD21 ' A' ' 79' ' ' LEU . 93.6 mtp -62.29 -44.16 97.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.386 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.569 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.9 p -62.05 -45.17 94.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.198 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.76 -47.54 83.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 9.1 tpp -58.88 -48.3 81.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.534 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.41 -45.39 94.53 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.134 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.63 -47.4 79.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.987 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.416 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 78.7 ttt-85 -59.42 -44.79 92.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.21 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.22 -46.66 88.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.234 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.29 -41.87 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.119 0.485 . . . . 0.0 110.008 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.437 HD13 ' HB1' ' C' ' 22' ' ' ALA . 66.0 mt -60.38 -41.77 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.325 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.517 HG23 ' HE1' ' C' ' 41' ' ' MET . 71.0 m -57.35 -45.93 83.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.146 0.498 . . . . 0.0 109.975 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.93 -42.58 99.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.491 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.559 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.3 mt -60.36 -43.82 96.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.48 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.86 -43.06 96.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.504 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 96' ' ' GLU . . . . . 0.42 ' HG2' ' HZ3' ' C' ' 100' ' ' LYS . 84.2 tt0 -59.0 -39.66 82.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.098 0.475 . . . . 0.0 109.725 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.714 HD21 ' NE2' ' A' ' 98' ' ' HIS . 36.0 mt -61.49 -41.59 97.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.938 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.86 ' NE2' HD21 ' B' ' 97' ' ' LEU . 74.4 m80 -59.36 -39.86 84.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' C' ' 103' ' ' ALA . 83.3 tt0 -61.8 -41.21 97.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.048 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 100' ' ' LYS . . . . . 0.42 ' HZ3' ' HG2' ' C' ' 96' ' ' GLU . 60.8 mttp -63.59 -37.88 89.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.196 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.53 -41.1 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.293 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -91.17 -7.67 50.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 103' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 121.881 0.848 . . . . 0.0 108.977 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.81 143.01 36.65 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.33 38.61 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.973 -1.08 . . . . 0.0 109.573 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.17 149.14 28.43 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.3 19.0 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.095 -1.003 . . . . 0.0 108.348 178.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.85 144.38 19.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.68 136.57 37.03 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.14 0.971 . . . . 0.0 110.069 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.32 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 177.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.9 -4.27 19.35 Favored 'General case' 0 C--N 1.265 -3.099 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.808 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.56 141.88 85.75 Favored Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 119.67 -1.894 . . . . 0.0 110.632 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.5 -47.63 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 124.754 3.636 . . . . 0.0 114.158 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -102.17 27.52 6.6 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 116.07 -2.252 . . . . 0.0 108.768 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 65.94 -127.27 30.29 Favored Glycine 0 N--CA 1.497 2.721 0 C-N-CA 117.725 -2.178 . . . . 0.0 109.543 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 7.0 tp -127.07 79.1 1.86 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.983 -1.304 . . . . 0.0 109.463 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -86.96 173.98 8.99 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 117.815 -1.554 . . . . 0.0 112.182 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 6.8 p -22.57 -68.6 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -176.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.52 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.0 ttt-85 -45.75 -66.34 0.52 Allowed Pre-proline 0 N--CA 1.493 1.7 0 C-N-CA 120.125 -0.63 . . . . 0.0 112.456 -177.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' D' ' 317' ' ' ARG . 20.8 Cg_endo -64.06 -32.18 64.61 Favored 'Trans proline' 0 C--N 1.315 -1.212 0 C-N-CA 121.821 1.681 . . . . 0.0 111.497 176.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.484 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.95 -38.88 86.93 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.253 -0.904 . . . . 0.0 109.451 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.99 -39.67 72.33 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.97 -39.41 94.06 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 118.013 -1.475 . . . . 0.0 109.515 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.67 -45.3 93.43 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 122.575 1.179 . . . . 0.0 108.723 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.484 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.5 t -62.62 -42.27 95.35 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.679 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.488 ' NZ ' HD13 ' A' ' 13' ' ' ILE . 81.6 mttt -63.84 -40.29 96.24 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.227 -0.921 . . . . 0.0 109.795 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.75 -39.78 80.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.501 -0.749 . . . . 0.0 109.536 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.94 91.74 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.658 -1.276 . . . . 0.0 109.4 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.35 -16.19 43.65 Favored 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.99 -10.49 86.23 Favored Glycine 0 N--CA 1.479 1.549 0 O-C-N 119.941 -1.724 . . . . 0.0 109.336 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.28 32.93 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.191 -1.77 . . . . 0.0 110.044 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.56 -30.03 59.54 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.18 -0.95 . . . . 0.0 112.31 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.54 10.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 119.8 -1.813 . . . . 0.0 112.819 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.29 35.41 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 171.27 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.67 136.64 60.23 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.435 0 CA-C-O 122.203 1.001 . . . . 0.0 109.333 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.91 143.17 51.0 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 123.042 1.401 . . . . 0.0 109.991 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.2 t -108.13 129.95 61.5 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.733 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 173.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.42 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.45 119.5 26.27 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.84 -1.162 . . . . 0.0 108.951 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.2 t -122.46 122.65 39.47 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.935 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.67 38.99 24.2 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.946 -1.096 . . . . 0.0 112.801 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 10.98 83.59 Favored Glycine 0 N--CA 1.5 2.939 0 O-C-N 119.873 -1.767 . . . . 0.0 112.585 177.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.85 136.29 54.54 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.274 -2.121 . . . . 0.0 105.274 177.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.8 158.54 33.12 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.748 1.737 . . . . 0.0 112.492 -176.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.44 31.47 Favored 'General case' 0 C--N 1.278 -2.515 0 CA-C-N 112.492 -2.14 . . . . 0.0 108.548 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.59 135.94 48.85 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 105.612 -1.995 . . . . 0.0 105.612 173.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.9 -6.81 47.61 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.769 -1.207 . . . . 0.0 110.785 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.5 12.91 31.72 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.603 -1.31 . . . . 0.0 109.332 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 98.5 p -133.07 104.19 6.4 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.185 0.993 . . . . 0.0 110.167 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.19 -37.92 72.89 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.992 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -58.96 -51.33 70.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.602 -1.312 . . . . 0.0 113.017 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.05 -32.49 70.64 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 119.575 -1.953 . . . . 0.0 109.165 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.69 75.72 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.971 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.547 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.65 -10.46 52.45 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.615 -0.678 . . . . 0.0 109.989 -177.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 40.2 p -89.76 -7.74 53.79 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 118.087 -1.445 . . . . 0.0 110.982 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.3 159.35 15.31 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.243 -0.91 . . . . 0.0 110.201 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.87 2.97 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 106.931 -2.468 . . . . 0.0 106.931 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.1 mt -119.64 47.38 1.73 Allowed 'General case' 0 C--N 1.31 -1.134 0 O-C-N 120.666 -1.491 . . . . 0.0 107.42 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.754 HG22 HG21 ' C' ' 56' ' ' THR . 47.9 p -81.45 172.52 13.42 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.168 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.69 140.96 57.31 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.801 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.22 79.09 Favored Glycine 0 N--CA 1.501 3.001 0 C-N-CA 119.953 -1.118 . . . . 0.0 111.348 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.45 135.96 34.04 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.884 -1.362 . . . . 0.0 110.605 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.63 123.75 49.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.481 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.2 m -112.24 160.04 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 117.4 -1.72 . . . . 0.0 110.59 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.42 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.3 m -108.84 128.29 54.77 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.517 -1.364 . . . . 0.0 107.631 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.82 121.42 60.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 176.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.405 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.22 50.7 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.547 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.39 47.24 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.825 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.14 110.8 6.44 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 118.588 -1.245 . . . . 0.0 107.996 178.214 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.2 -170.26 40.1 Favored Glycine 0 C--N 1.295 -1.696 0 C-N-CA 118.011 -2.042 . . . . 0.0 110.328 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.64 82.8 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-N 114.338 -0.931 . . . . 0.0 112.201 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.0 36.67 3.58 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 115.946 -2.302 . . . . 0.0 108.614 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.34 -33.52 65.71 Favored 'General case' 0 N--CA 1.521 3.108 0 N-CA-C 116.831 2.159 . . . . 0.0 116.831 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.435 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.56 27.43 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 119.583 -1.948 . . . . 0.0 110.984 -176.527 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.775 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.7 -40.6 97.18 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.47 77.74 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 117.437 -1.705 . . . . 0.0 110.078 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.0 t -66.83 -42.19 88.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-O 122.279 1.038 . . . . 0.0 109.289 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.93 76.45 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 122.119 0.961 . . . . 0.0 108.732 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.775 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.82 -38.35 76.54 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.657 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.4 mt -75.52 -28.71 59.21 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.347 -1.471 . . . . 0.0 110.887 -174.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -39.54 71.56 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.408 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.86 -49.29 62.93 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.27 -45.22 84.27 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.512 177.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.481 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.4 -37.32 85.31 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.838 -1.164 . . . . 0.0 111.517 -177.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.82 61.68 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.133 -0.979 . . . . 0.0 110.252 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.92 -32.3 45.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.492 -0.755 . . . . 0.0 111.346 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.46 12.26 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 124.289 1.995 . . . . 0.0 112.847 178.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.808 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.7 tt0 . . . . . 0 C--N 1.276 -2.589 0 CA-C-N 111.136 -2.757 . . . . 0.0 110.136 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.7 mt . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.63 -47.43 78.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.848 0.356 . . . . 1.9399999999999999 110.293 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.91 -35.88 79.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.245 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.65 -42.97 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.386 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.655 HG21 HG13 ' A' ' 73' ' ' VAL . 70.2 t -60.88 -43.94 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.92 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.44 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.3 mtp -59.2 -42.45 90.94 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.512 -0.551 . . . . 0.17999999999999999 109.512 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.4 -41.86 97.9 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.38 -42.34 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.154 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.0 -44.21 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.20000000000000001 109.748 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.519 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.9 mt -63.9 -44.09 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.992 -0.549 . . . . 0.01 109.995 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -61.98 -45.76 92.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.784 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.29 -44.59 95.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.931 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.64 -43.38 99.07 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.48 -43.5 97.11 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -50.17 74.48 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.889 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.61 -45.94 90.44 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.423 ' HB2' HH22 ' D' ' 317' ' ' ARG . 11.7 t -55.68 -43.99 76.88 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.91 -43.15 96.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.68 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.02 -50.87 72.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.26 -40.86 87.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.622 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.64 88.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.763 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.35 86.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.717 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.28 -45.36 94.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.505 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.69 -41.72 74.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.62 -41.91 98.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.765 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.76 92.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.719 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.56 -29.04 69.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.152 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -81.14 -5.04 57.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.482 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.84 15.36 67.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.7 79.64 2.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.744 0.306 . . . . 0.0 110.267 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.56 -34.47 78.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.629 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.35 84.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.007 0.432 . . . . 0.0 110.742 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.94 -35.47 80.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.377 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.63 82.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.573 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -62.44 -42.48 99.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.665 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.22 97.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.738 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.55 -42.0 92.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.519 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.515 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.9 mtm -64.73 -40.45 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.635 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -61.51 -47.94 83.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.013 0.435 . . . . 0.0 110.558 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.42 -41.11 98.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.219 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.28 -46.74 89.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.539 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -60.43 -42.99 97.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.326 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.81 -43.62 97.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.243 0.544 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.223 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.665 HD21 ' OG ' ' A' ' 84' ' ' SER . 12.5 mt -65.43 -39.52 92.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.59 -43.23 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.236 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.43 -39.86 92.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.228 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.9 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.47 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -61.13 -39.39 89.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.019 -0.537 . . . . 0.089999999999999997 110.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.9 mt -60.21 -43.87 95.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.77 -42.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.973 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.83 -43.87 97.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.247 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.5 m -56.46 -43.32 79.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.059999999999999998 110.045 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.15 -39.37 92.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.49 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' A' ' 4' ' ' LEU . 96.0 mt -64.93 -31.28 72.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.663 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.471 ' CG1' HD22 ' A' ' 74' ' ' LEU . 96.6 mt -84.0 -33.38 9.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.050000000000000003 110.871 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.476 -179.813 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.505 ' O ' HG23 ' A' ' 75' ' ' VAL . 95.7 p . . . . . 0 C--O 1.227 -0.118 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.18 -44.47 83.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.665 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.655 HG13 HG21 ' A' ' 8' ' ' VAL . 66.6 t -64.46 -48.02 86.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.865 0.364 . . . . 0.0 110.553 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.471 HD22 ' CG1' ' A' ' 59' ' ' ILE . 97.4 mt -64.07 -42.16 97.08 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.228 -0.442 . . . . 0.11 110.928 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 71' ' ' SER . 53.3 t -59.5 -47.63 90.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.726 -0.67 . . . . 0.38 110.103 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -58.16 -46.95 84.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.799 0.333 . . . . 0.0 110.347 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.89 96.1 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.75 0.31 . . . . 0.059999999999999998 110.612 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.62 -41.47 99.02 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.248 -0.433 . . . . 1.0900000000000001 110.166 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 83' ' ' THR . 40.8 tp -56.48 -46.75 80.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.417 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.442 ' O ' ' OG1' ' A' ' 83' ' ' THR . 47.1 m80 -67.36 -46.17 74.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.302 -0.408 . . . . 0.080000000000000002 110.665 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.72 -46.21 91.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.793 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.04 -42.48 98.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.182 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.8 p -62.84 -45.15 93.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.125 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.665 ' OG ' HD21 ' A' ' 48' ' ' LEU . 11.6 t -62.57 -49.12 76.55 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.449 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.82 -48.26 80.26 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.719 0.295 . . . . 0.0 110.58 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.25 -45.19 95.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 110.068 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.29 83.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.869 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 HD12 ' A' ' 48' ' ' LEU . 56.6 ttp180 -57.8 -45.87 85.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.143 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.583 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 98.1 mt-10 -62.1 -43.51 98.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.086 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.43 -43.0 91.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.13 0.491 . . . . 0.0 109.856 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.553 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 70.9 mt -60.25 -42.36 90.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.238 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.0 m -57.68 -45.98 84.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.83 -44.64 95.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.562 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.79 -44.42 90.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.515 HD12 ' SD ' ' A' ' 41' ' ' MET . 91.1 mt -61.37 -42.82 95.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.483 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -60.91 -39.39 89.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.63 -41.59 99.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.786 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -59.29 -39.65 83.65 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -63.25 -38.83 92.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.554 ' NZ ' ' CD2' ' B' ' 98' ' ' HIS . 98.2 mttt -64.57 -39.5 93.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.214 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.391 179.778 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.617 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.8 mt . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.573 0.225 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.74 -47.49 78.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.863 0.363 . . . . 1.9399999999999999 110.32 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.61 -35.98 79.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.237 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.56 -43.26 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.34 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.639 HG21 HG13 ' B' ' 73' ' ' VAL . 70.6 t -60.84 -43.71 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.87 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -59.54 -42.06 91.48 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.501 -0.555 . . . . 0.17999999999999999 109.501 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.04 97.51 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.3 -42.52 99.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.826 0.346 . . . . 0.0 110.421 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.87 -44.4 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.28999999999999998 109.685 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.57 -44.29 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.875 -0.602 . . . . 0.02 109.926 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.8 -45.6 93.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.851 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.45 -44.44 95.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.09 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.26 99.23 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.55 -43.59 96.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.23 74.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.915 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.583 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 76.7 ttt180 -59.6 -45.88 90.61 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -55.81 -43.87 77.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.91 -43.33 96.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.747 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.553 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -58.9 -51.08 71.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.47 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.0 m-85 -59.27 -40.8 87.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.691 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.81 88.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.685 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.23 86.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.612 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.62 -45.46 93.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.383 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.66 -41.77 74.12 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.51 -41.93 98.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.857 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.84 93.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.667 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.3 -29.15 69.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.084 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -81.34 -4.87 56.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.387 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.59 15.57 68.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.77 79.2 2.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.714 0.292 . . . . 0.0 110.303 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -64.34 -34.51 78.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.604 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.44 -47.62 83.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.947 0.403 . . . . 0.0 110.742 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.2 80.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.429 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.75 -47.83 81.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.555 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.28 -42.74 99.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.556 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.3 98.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.62 -42.22 91.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.527 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.522 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.9 mtm -64.27 -40.67 96.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.557 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.68 -47.93 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.458 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.28 -41.01 98.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.269 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.49 -46.61 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.457 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -60.7 -42.86 98.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.332 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -60.76 -43.51 97.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.225 0.536 . . . . 0.0 110.617 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.28 99.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.177 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.674 HD21 ' OG ' ' B' ' 84' ' ' SER . 12.0 mt -65.55 -39.62 91.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.756 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.61 -43.12 97.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.03 -40.06 94.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.172 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.92 76.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.453 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.33 -39.09 89.24 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.089999999999999997 110.248 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.44 -43.99 96.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.39 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.37 -43.48 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.08 0.467 . . . . 0.0 110.029 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -60.15 -44.11 95.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.8 m -56.49 -43.37 79.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.059999999999999998 110.01 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.16 -39.17 91.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.568 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' B' ' 4' ' ' LEU . 96.3 mt -64.9 -31.21 72.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.756 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.462 ' CG1' HD22 ' B' ' 74' ' ' LEU . 96.8 mt -83.97 -33.69 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.023 -0.535 . . . . 0.040000000000000001 110.691 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 -179.771 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.545 ' O ' HG23 ' B' ' 75' ' ' VAL . 91.9 p . . . . . 0 N--CA 1.461 0.083 0 CA-C-O 120.979 0.418 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.16 -44.14 95.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.581 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.639 HG13 HG21 ' B' ' 8' ' ' VAL . 58.9 t -63.68 -47.31 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.576 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.462 HD22 ' CG1' ' B' ' 59' ' ' ILE . 97.2 mt -64.63 -41.16 96.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.076 0.465 . . . . 0.11 111.004 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 71' ' ' SER . 52.5 t -60.4 -46.88 94.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.766 -0.652 . . . . 0.38 110.307 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.464 ' O ' ' HD2' ' B' ' 80' ' ' HIS . 58.7 t-80 -58.95 -46.41 88.11 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.763 -0.375 . . . . 1.1100000000000001 110.339 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.55 95.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.866 0.365 . . . . 0.059999999999999998 110.379 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -63.16 -41.26 99.22 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.119 -0.491 . . . . 1.0900000000000001 110.221 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.501 ' O ' HG23 ' B' ' 83' ' ' THR . 41.4 tp -56.87 -46.6 81.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.382 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.464 ' HD2' ' O ' ' B' ' 76' ' ' HIS . 30.2 m-70 -67.35 -46.18 74.15 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.734 -0.386 . . . . 0.080000000000000002 110.687 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.84 -46.36 90.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.844 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -60.41 -43.31 96.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.235 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.501 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.1 p -62.17 -45.77 91.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.206 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.674 ' OG ' HD21 ' B' ' 48' ' ' LEU . 11.8 t -61.66 -49.33 76.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.642 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.98 -48.14 80.89 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.456 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.45 -44.74 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.72 83.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.89 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.407 HH11 HD12 ' B' ' 48' ' ' LEU . 56.5 ttp180 -57.47 -46.09 84.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.595 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 97.8 mt-10 -61.66 -43.72 98.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.096 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.67 -42.51 91.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.121 0.486 . . . . 0.0 110.011 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.553 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 73.1 mt -60.38 -42.18 89.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.19 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 71.8 m -58.13 -45.48 87.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.039 0.447 . . . . 0.0 109.874 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.18 -44.47 95.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.491 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.87 -44.45 91.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.522 HD12 ' SD ' ' B' ' 41' ' ' MET . 90.5 mt -61.44 -42.96 95.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.553 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -60.59 -39.5 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.67 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.55 -41.31 98.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.873 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.554 ' CD2' ' NZ ' ' A' ' 100' ' ' LYS . 60.1 m80 -59.34 -39.9 84.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.789 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -63.03 -38.96 93.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.115 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' LYS . . . . . 0.56 ' NZ ' ' CD2' ' C' ' 98' ' ' HIS . 98.2 mttt -64.38 -39.96 94.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.213 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.423 179.704 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.635 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.6 mt . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.575 0.226 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.61 -47.8 77.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.879 0.371 . . . . 1.9399999999999999 110.396 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.43 -36.04 80.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.298 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.409 HG11 HD11 ' C' ' 58' ' ' LEU . 76.2 t -63.41 -42.91 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.324 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.635 HG23 ' O ' ' C' ' 4' ' ' LEU . 69.6 t -61.19 -43.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.979 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.1 -42.4 90.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.624 -0.51 . . . . 0.17999999999999999 109.624 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.75 98.03 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.54 -42.23 98.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.403 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.16 -44.09 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.956 -0.565 . . . . 0.29999999999999999 109.712 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.8 -44.18 98.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.538 . . . . 0.02 110.048 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -61.88 -45.71 92.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.781 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.36 -44.43 95.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.17 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.04 -42.91 99.5 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.8 -43.55 95.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.22 74.23 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.595 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 76.7 ttt180 -59.32 -46.2 89.24 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 12.0 t -55.58 -44.17 76.64 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.59 -43.04 98.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.773 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.559 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.14 -51.11 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.455 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 7.9 m-85 -59.24 -40.95 87.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.508 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.9 88.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.694 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.42 86.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.525 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.34 -45.35 94.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.474 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.86 -41.3 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.08 -41.62 98.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.891 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.81 93.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.803 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.62 -29.15 69.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.085 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -80.98 -4.84 56.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.475 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.55 15.45 68.43 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -99.01 79.53 2.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.718 0.294 . . . . 0.0 110.302 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -64.67 -34.39 78.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.551 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.57 83.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 110.708 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.35 80.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.416 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.99 80.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.447 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -61.76 -42.85 99.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.651 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.63 99.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.743 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.41 -42.16 92.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.522 ' SD ' HD12 ' C' ' 95' ' ' ILE . 75.0 mtm -64.36 -40.53 96.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.58 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -61.77 -48.33 81.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.424 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.73 -41.53 99.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.01 -46.69 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -60.88 -42.44 97.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.326 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.1 ttp -61.14 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.311 0.576 . . . . 0.0 110.537 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.31 99.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.312 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.663 HD21 ' OG ' ' C' ' 84' ' ' SER . 12.2 mt -65.54 -40.05 92.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.793 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.13 -43.18 95.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.27 -40.45 93.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.089 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -44.96 78.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.454 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.556 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.1 t60 -61.16 -39.31 89.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.991 -0.55 . . . . 0.089999999999999997 110.347 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' C' ' 53' ' ' LEU . 38.4 mt -60.54 -44.04 96.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.04 -43.4 96.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.002 0.43 . . . . 0.0 109.979 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -60.4 -44.12 96.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.246 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.747 HG21 HG22 ' D' ' 356' ' ' THR . 17.1 m -56.36 -43.19 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.059999999999999998 110.11 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.34 -38.97 91.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 110.508 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' C' ' 4' ' ' LEU . 97.1 mt -65.06 -31.09 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.792 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.471 ' CG1' HD22 ' C' ' 74' ' ' LEU . 96.9 mt -84.05 -33.55 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.059999999999999998 110.852 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.463 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' C' ' 72' ' ' LEU . 48.7 mt . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 120.657 0.265 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.596 HG13 HG21 ' C' ' 8' ' ' VAL . 53.7 t -65.25 -47.37 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 130.108 3.363 . . . . 0.0 110.592 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.471 HD22 ' CG1' ' C' ' 59' ' ' ILE . 95.5 mt -67.03 -40.57 87.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.084 0.468 . . . . 0.11 110.998 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 52.4 t -60.93 -47.36 93.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.833 -0.621 . . . . 0.40000000000000002 110.218 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 58.9 t-80 -58.85 -46.51 87.57 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.845 -0.342 . . . . 1.02 110.371 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.54 95.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.88 0.371 . . . . 0.059999999999999998 110.44 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -62.95 -41.25 99.46 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0900000000000001 110.305 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.513 ' O ' HG23 ' C' ' 83' ' ' THR . 41.5 tp -56.9 -46.52 81.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.517 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 48.9 m80 -67.53 -45.94 74.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.3 -0.409 . . . . 0.080000000000000002 110.808 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.05 -45.96 92.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.807 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -60.89 -43.19 98.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.45 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.513 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.7 p -62.1 -45.54 93.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.194 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 84' ' ' SER . . . . . 0.663 ' OG ' HD21 ' C' ' 48' ' ' LEU . 11.5 t -62.19 -49.15 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.08 -47.85 81.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.713 0.292 . . . . 0.0 110.535 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.56 -44.76 96.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.929 0.395 . . . . 0.0 110.152 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.28 84.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.968 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.416 HH11 HD12 ' C' ' 48' ' ' LEU . 56.6 ttp180 -57.71 -46.23 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.275 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.36 -43.91 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 0.0 110.165 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.41 -42.82 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.245 0.545 . . . . 0.0 110.033 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.559 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 74.0 mt -60.15 -42.22 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.402 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -58.13 -45.34 87.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.093 0.473 . . . . 0.0 110.021 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.3 -44.27 95.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.52 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 84.7 mt -58.99 -44.55 91.62 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.522 HD12 ' SD ' ' C' ' 41' ' ' MET . 90.1 mt -61.29 -43.01 95.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.557 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -60.38 -39.65 88.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.748 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.43 -41.83 99.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.879 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.56 ' CD2' ' NZ ' ' B' ' 100' ' ' LYS . 60.3 m80 -58.89 -40.05 83.3 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.3 tm-20 -62.88 -39.02 93.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.114 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.28 -39.62 94.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.24 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.81 -42.53 94.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.314 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.3 mttp -90.6 140.57 29.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.504 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.554 -179.919 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.857 0.837 . . . . 0.0 108.957 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.8 142.98 36.66 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.94 156.39 38.8 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.054 -1.029 . . . . 0.0 109.521 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.19 149.18 28.47 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.33 18.97 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.981 -1.074 . . . . 0.0 108.372 178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.8 144.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.7 136.6 37.0 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.158 0.98 . . . . 0.0 110.165 177.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.98 114.31 24.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.88 -4.27 19.37 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.82 85.84 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.696 -1.878 . . . . 0.0 110.631 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.49 -47.69 12.84 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 124.749 3.633 . . . . 0.0 114.17 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.556 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 99.1 m-20 -102.13 27.56 6.55 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 116.082 -2.247 . . . . 0.0 108.795 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.22 -127.14 26.65 Favored Glycine 0 N--CA 1.496 2.696 0 C-N-CA 117.61 -2.233 . . . . 0.0 109.617 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.548 HD21 HD23 ' D' ' 384' ' ' LEU . 0.8 OUTLIER -130.02 74.92 1.62 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.915 -1.344 . . . . 0.0 109.551 -177.323 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -80.07 175.43 10.65 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.883 -1.527 . . . . 0.0 112.145 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 63.9 p -22.99 -69.09 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.423 HH22 ' HB2' ' A' ' 20' ' ' SER . 18.7 ttt180 -44.02 -66.0 0.52 Allowed Pre-proline 0 N--CA 1.493 1.683 0 C-N-CA 120.104 -0.638 . . . . 0.0 112.554 -177.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.71 -32.25 57.41 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 121.973 1.782 . . . . 0.0 111.469 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.503 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.83 86.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.208 -0.932 . . . . 0.0 109.47 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.94 -39.69 72.49 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.94 -39.38 94.03 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 117.999 -1.48 . . . . 0.0 109.516 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.68 -45.3 93.42 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.569 1.176 . . . . 0.0 108.692 -177.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.503 HG23 ' O ' ' D' ' 319' ' ' ALA . 61.1 t -62.68 -42.3 95.56 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.645 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.443 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 95.7 mttt -63.85 -40.22 96.07 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.784 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.66 79.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 109.589 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.01 91.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.571 -1.331 . . . . 0.0 109.444 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.42 -16.09 43.38 Favored 'General case' 0 N--CA 1.511 2.588 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.69 86.03 Favored Glycine 0 N--CA 1.479 1.531 0 O-C-N 119.921 -1.737 . . . . 0.0 109.3 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.33 143.34 32.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.26 -1.729 . . . . 0.0 110.054 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.67 -29.98 59.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.276 -0.89 . . . . 0.0 112.312 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.73 158.55 10.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.778 -1.826 . . . . 0.0 112.82 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.585 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.29 35.46 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 171.186 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.58 60.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 CA-C-O 122.176 0.989 . . . . 0.0 109.306 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.98 143.23 51.0 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 123.124 1.44 . . . . 0.0 109.973 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.6 t -108.05 129.92 61.43 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.683 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.0 m -127.44 119.6 26.49 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.831 -1.168 . . . . 0.0 108.971 -178.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.56 122.59 39.24 Favored 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.872 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.3 t30 51.79 38.87 24.3 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.908 -1.12 . . . . 0.0 112.752 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.62 11.05 83.54 Favored Glycine 0 N--CA 1.502 3.046 0 O-C-N 119.853 -1.779 . . . . 0.0 112.519 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.88 136.25 54.57 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 105.274 -2.121 . . . . 0.0 105.274 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.73 158.5 33.12 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-O 123.76 1.743 . . . . 0.0 112.46 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.36 31.37 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 112.539 -2.118 . . . . 0.0 108.646 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.55 136.02 48.97 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.429 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.95 -6.87 48.19 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.727 -1.233 . . . . 0.0 110.695 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.44 12.93 31.57 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.61 -1.306 . . . . 0.0 109.392 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.1 t -133.09 104.13 6.36 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 122.206 1.003 . . . . 0.0 110.119 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.44 HD22 ' CE ' ' A' ' 9' ' ' MET . 55.1 tp -57.2 -37.91 72.89 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.985 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -58.84 -51.39 70.2 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.512 -1.368 . . . . 0.0 113.041 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.5 70.7 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 119.538 -1.976 . . . . 0.0 109.225 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.79 75.88 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.888 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.526 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.69 -10.42 52.21 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.63 -0.669 . . . . 0.0 109.883 -177.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.6 p -89.75 -7.74 53.8 Favored 'General case' 0 N--CA 1.501 2.124 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.888 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 353' ' ' LEU . . . . . 0.404 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.9 mt -93.35 159.31 15.32 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.139 -0.976 . . . . 0.0 110.118 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.83 2.96 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 106.94 -2.464 . . . . 0.0 106.94 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.59 47.41 1.72 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 120.729 -1.453 . . . . 0.0 107.353 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.747 HG22 HG21 ' C' ' 56' ' ' THR . 3.2 p -81.51 172.62 13.27 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.189 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -60.75 140.98 57.38 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.286 -0.966 . . . . 0.0 109.84 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.27 79.1 Favored Glycine 0 N--CA 1.501 3.003 0 C-N-CA 119.996 -1.097 . . . . 0.0 111.384 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.38 135.93 34.09 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.94 -1.329 . . . . 0.0 110.609 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.58 123.78 49.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.485 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.1 m -112.26 160.06 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 C-N-CA 117.347 -1.741 . . . . 0.0 110.611 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.4 m -108.81 128.43 54.89 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.588 -1.32 . . . . 0.0 107.617 175.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.96 121.38 60.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 176.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.27 50.71 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 -179.569 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.33 47.09 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 118.534 -1.267 . . . . 0.0 109.759 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.08 110.78 6.45 Favored 'General case' 0 C--N 1.287 -2.131 0 C-N-CA 118.588 -1.245 . . . . 0.0 108.074 178.212 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.28 40.13 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.047 -2.025 . . . . 0.0 110.378 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.56 82.9 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-N 114.403 -0.899 . . . . 0.0 112.173 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.05 36.72 3.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 115.886 -2.326 . . . . 0.0 108.581 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.59 65.75 Favored 'General case' 0 N--CA 1.521 3.1 0 N-CA-C 116.817 2.154 . . . . 0.0 116.817 -174.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.466 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.66 27.37 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 119.541 -1.974 . . . . 0.0 110.918 -176.507 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.783 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.68 97.6 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.5 77.6 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 117.483 -1.687 . . . . 0.0 110.028 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.73 -42.29 89.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 122.173 0.987 . . . . 0.0 109.283 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.83 -47.95 76.32 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 122.074 0.94 . . . . 0.0 108.712 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.783 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.2 m80 -69.72 -38.38 76.87 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.753 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.2 mt -75.55 -28.65 59.1 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.447 -1.408 . . . . 0.0 110.904 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.41 -39.54 71.62 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.27 62.93 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.22 -45.23 84.05 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.557 177.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.485 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.3 85.19 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.881 -1.137 . . . . 0.0 111.536 -177.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.81 61.6 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.062 -1.023 . . . . 0.0 110.26 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.89 -32.37 45.78 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.49 -0.756 . . . . 0.0 111.335 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.548 HD23 HD21 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -49.99 125.44 12.08 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 124.317 2.008 . . . . 0.0 112.917 178.674 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.4 mm-40 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.181 -2.736 . . . . 0.0 110.17 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.9 mt . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.8 -47.1 79.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.835 0.35 . . . . 1.9399999999999999 110.274 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -67.22 -37.17 83.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.303 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 58' ' ' LEU . 72.1 t -63.53 -42.72 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.396 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 4' ' ' LEU . 93.5 t -60.22 -44.8 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.928 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.45 -42.14 91.27 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.518 -0.549 . . . . 0.17999999999999999 109.518 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.77 97.8 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 11' ' ' LEU . 36.5 mt -63.24 -42.39 99.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 110.247 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.97 -44.46 99.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.20000000000000001 109.763 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.5 mt -63.43 -43.84 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 0.01 109.987 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.492 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.8 t-20 -60.27 -46.32 90.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.785 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.8 p -59.27 -43.2 92.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.978 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.42 99.68 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.01 -42.73 99.89 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.68 76.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -60.52 -46.33 90.54 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -55.14 -44.85 75.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.97 -42.64 99.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.79 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.651 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.5 -50.25 74.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.44 -42.51 92.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.614 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.23 -42.3 90.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.765 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.79 84.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.641 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.41 -45.35 94.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.459 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' NZ ' ' OE1' ' A' ' 31' ' ' GLN . 66.1 tttm -55.63 -43.17 75.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.2 mt-30 -61.66 -41.6 97.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.757 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.75 92.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.699 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.75 -28.98 69.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.146 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.503 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 27.3 mt-30 -79.77 -4.51 52.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.373 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.87 13.46 69.4 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.9 79.54 2.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -64.86 -35.12 80.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.702 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.74 82.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.019 0.437 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -66.07 -35.16 79.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.386 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -48.07 80.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.599 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.01 -42.44 99.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.584 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.23 99.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.65 -40.63 92.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.88 -41.08 99.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -62.47 -44.23 96.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.994 0.426 . . . . 0.0 110.537 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.21 -41.68 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.227 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -60.55 -45.65 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.05 -42.48 98.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.3 tpp -60.98 -43.71 98.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.224 0.535 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.36 99.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.218 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.92 -39.5 90.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -41.79 97.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.325 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -65.65 -39.34 91.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.148 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.492 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.68 -43.34 80.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.465 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -62.7 -37.98 88.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.022 -0.535 . . . . 0.089999999999999997 110.325 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.3 mt -61.29 -44.53 97.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.322 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.31 -43.01 95.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.044 0.45 . . . . 0.0 110.061 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.644 HE21 ' CD2' ' A' ' 74' ' ' LEU . 46.1 tp60 -60.47 -42.82 97.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.256 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 m -56.86 -42.91 80.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.059999999999999998 110.055 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.67 -41.02 96.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.535 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.502 HD22 ' CD2' ' A' ' 4' ' ' LEU . 95.1 mt -67.38 -37.39 83.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.502 HD11 HE21 ' A' ' 78' ' ' GLN . 94.5 mt -68.5 -39.29 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.050000000000000003 110.908 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.221 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 75' ' ' VAL . 11.1 p . . . . . 0 N--CA 1.462 0.133 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.66 -46.73 80.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.644 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG1' HG21 ' A' ' 8' ' ' VAL . 54.6 t -62.54 -44.99 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.879 0.371 . . . . 0.0 110.554 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.644 ' CD2' HE21 ' A' ' 55' ' ' GLN . 31.8 mt -61.2 -40.18 92.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.012 0.434 . . . . 0.11 110.904 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 71' ' ' SER . 45.3 t -58.89 -47.01 90.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.816 -0.629 . . . . 0.38 110.225 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -58.88 -46.47 87.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.773 0.32 . . . . 0.0 110.309 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -62.75 -43.39 98.92 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.53 -0.305 . . . . 0.059999999999999998 110.641 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.502 HE21 HD11 ' A' ' 59' ' ' ILE . 85.6 mt-30 -61.82 -39.15 90.79 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.249 -0.432 . . . . 1.0900000000000001 110.201 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 83' ' ' THR . 38.6 tp -56.62 -46.56 80.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.33 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -67.07 -45.97 75.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.355 -0.384 . . . . 0.080000000000000002 110.685 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.03 -45.99 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.853 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.76 -42.02 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.227 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.2 p -64.41 -46.61 82.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.1 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 m -62.23 -48.75 78.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.99 -48.26 80.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.488 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.33 -45.02 96.18 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.06 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.78 83.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.844 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -58.55 -45.43 88.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.161 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.62 -43.66 98.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.093 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.47 -42.68 95.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 0.0 109.884 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.651 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.1 mt -60.17 -42.05 88.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.314 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.5 -46.08 84.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.962 0.41 . . . . 0.0 109.895 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.52 -43.84 97.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.599 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.4 mt -59.24 -43.62 92.38 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.17 -42.54 93.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.426 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.22 -39.96 92.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 109.759 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.43 -41.59 98.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.818 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.7 m80 -59.5 -40.25 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.27 -40.91 97.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.157 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.09 -38.31 90.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.177 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.365 179.664 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.736 ' O ' HG23 ' B' ' 8' ' ' VAL . 98.2 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.611 0.243 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.89 -47.06 79.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 1.9399999999999999 110.38 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.15 -37.28 83.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.116 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.488 HG11 HD11 ' B' ' 58' ' ' LEU . 72.0 t -63.53 -42.53 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 4' ' ' LEU . 93.5 t -60.49 -44.71 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.845 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.8 mtp -59.54 -42.45 92.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.55 -0.537 . . . . 0.17999999999999999 109.55 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.22 97.96 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 11' ' ' LEU . 36.7 mt -62.68 -42.46 99.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.813 0.34 . . . . 0.0 110.404 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.417 ' O ' ' OG ' ' B' ' 15' ' ' SER . 92.5 mt -63.07 -44.41 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.28999999999999998 109.708 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.37 -43.99 98.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.02 109.907 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.8 t-20 -60.11 -46.16 90.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.89 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 12' ' ' ILE . 78.1 p -59.34 -43.07 92.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.125 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.15 -41.84 99.61 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -63.51 -42.99 98.48 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.0 74.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.861 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.2 -46.42 89.8 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -55.03 -44.97 75.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.98 -42.91 99.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.683 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.631 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.25 -50.21 74.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.61 -42.15 91.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.671 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.34 92.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.754 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.66 83.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.669 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.53 -45.69 93.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.361 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.506 ' NZ ' ' OE1' ' B' ' 31' ' ' GLN . 66.1 tttm -55.57 -42.86 75.33 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.433 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.1 mt-30 -61.74 -41.57 97.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.833 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.43 93.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.724 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.86 -29.27 70.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.022 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.506 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 27.3 mt-30 -79.59 -4.41 51.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.66 13.58 69.71 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -97.92 79.44 2.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 110.319 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -64.91 -35.02 79.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.608 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.08 80.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.763 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.433 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.69 -35.21 80.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.397 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.01 80.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.571 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.05 -42.55 99.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.569 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.52 99.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.44 -41.0 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 4.3 mmt -62.5 -41.43 98.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.538 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.98 -44.51 96.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.03 -41.53 99.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.245 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -60.91 -45.42 94.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.22 -42.52 98.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpp -60.72 -43.98 97.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.277 0.561 . . . . 0.0 110.649 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.33 99.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 48' ' ' LEU . 94.6 mt -65.76 -40.13 91.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.66 -42.16 96.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.332 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.34 -39.63 92.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.14 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.482 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.46 -43.41 81.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.464 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -62.54 -38.12 88.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.066 -0.515 . . . . 0.089999999999999997 110.326 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 53' ' ' LEU . 39.5 mt -61.18 -44.33 97.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.318 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.61 -43.33 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.074 0.464 . . . . 0.0 110.026 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.653 HE21 ' CD2' ' B' ' 74' ' ' LEU . 46.4 tp60 -60.04 -42.88 95.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.239 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 12.5 m -56.94 -43.26 81.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.059999999999999998 109.986 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.36 -40.87 95.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.924 0.392 . . . . 0.0 110.525 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.508 HD22 ' CD2' ' B' ' 4' ' ' LEU . 95.1 mt -67.6 -37.35 82.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.535 HD11 HE21 ' B' ' 78' ' ' GLN . 95.1 mt -68.51 -39.26 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.169 -0.469 . . . . 0.040000000000000001 110.745 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.529 -179.036 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 75' ' ' VAL . 19.3 p . . . . . 0 N--CA 1.461 0.093 0 CA-C-O 121.036 0.446 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.05 -46.23 88.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.492 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.474 ' CG1' HG21 ' B' ' 8' ' ' VAL . 54.5 t -62.0 -44.41 98.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.598 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.653 ' CD2' HE21 ' B' ' 55' ' ' GLN . 33.3 mt -61.43 -39.56 91.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.11 110.975 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 71' ' ' SER . 45.6 t -59.12 -47.32 90.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.775 -0.648 . . . . 0.38 110.295 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' HIS . . . . . 0.464 ' NE2' ' NE2' ' B' ' 80' ' ' HIS . 48.0 t60 -58.94 -46.18 88.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.86 -0.336 . . . . 1.1100000000000001 110.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.469 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -62.91 -43.0 99.98 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.864 0.364 . . . . 0.059999999999999998 110.399 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.535 HE21 HD11 ' B' ' 59' ' ' ILE . 85.8 mt-30 -62.41 -38.82 91.12 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.115 -0.493 . . . . 1.0900000000000001 110.267 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.492 ' O ' HG23 ' B' ' 83' ' ' THR . 39.9 tp -57.08 -46.43 82.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.401 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.464 ' NE2' ' NE2' ' B' ' 76' ' ' HIS . 86.9 m-70 -66.97 -45.83 76.49 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.787 -0.365 . . . . 0.080000000000000002 110.69 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.38 -45.98 92.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -61.49 -42.75 99.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.259 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.492 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.0 p -63.68 -46.63 84.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.18 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -62.07 -48.73 78.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -58.16 -48.13 81.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.444 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.38 -44.9 96.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.08 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.82 -47.81 83.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.862 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.4 -45.27 88.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.202 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.91 -43.59 98.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.183 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.48 -42.47 95.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.102 0.477 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.631 HD12 ' HB1' ' B' ' 22' ' ' ALA . 73.7 mt -60.27 -42.15 89.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.191 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.52 -45.85 84.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.072 0.463 . . . . 0.0 109.86 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -62.84 -43.68 98.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.473 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.572 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.4 mt -59.33 -43.15 92.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.87 -42.54 95.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.488 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.98 -40.28 92.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 97' ' ' LEU . 81.6 mt -62.2 -41.91 98.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.867 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -59.25 -40.27 85.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.23 -40.88 97.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.047 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.13 -38.31 90.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.201 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.391 179.544 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.751 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.6 mt . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.578 0.228 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.86 -47.02 79.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.857 0.361 . . . . 1.9399999999999999 110.343 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.13 -37.16 83.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.277 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.47 HG11 HD11 ' C' ' 58' ' ' LEU . 70.9 t -63.67 -42.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.751 HG23 ' O ' ' C' ' 4' ' ' LEU . 92.2 t -60.64 -44.64 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.925 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.2 mtp -59.73 -41.96 92.09 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.565 -0.531 . . . . 0.17999999999999999 109.565 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.3 -42.37 97.82 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' C' ' 11' ' ' LEU . 36.6 mt -62.71 -42.46 99.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.397 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.422 ' O ' ' OG ' ' C' ' 15' ' ' SER . 93.1 mt -63.01 -44.38 99.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.29999999999999999 109.677 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.36 -43.67 98.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.011 -0.54 . . . . 0.02 110.084 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.477 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 50.7 t-20 -60.74 -45.72 93.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.789 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 15' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' C' ' 12' ' ' ILE . 78.3 p -59.43 -43.31 93.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.123 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.26 99.71 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.23 -42.56 99.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.68 76.6 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -60.68 -46.17 91.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -55.26 -44.86 75.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.05 -42.66 99.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.686 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.647 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.56 -50.18 74.9 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.39 -42.29 91.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.492 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.28 92.25 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.71 84.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.593 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.38 -45.85 92.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.46 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' LYS . . . . . 0.521 ' NZ ' ' OE1' ' C' ' 31' ' ' GLN . 66.0 tttm -55.35 -43.29 74.88 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.437 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.5 mt-30 -61.53 -41.78 97.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.865 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.73 91.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.771 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.9 -29.01 69.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.091 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.521 ' OE1' ' NZ ' ' C' ' 27' ' ' LYS . 27.2 mt-30 -79.48 -4.79 52.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.09 13.47 68.83 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.9 79.11 2.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.71 0.29 . . . . 0.0 110.331 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -64.74 -35.12 80.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.532 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.82 81.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.011 0.434 . . . . 0.0 110.642 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ALA . . . . . 0.437 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.79 -35.31 80.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.11 79.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.8 -42.8 99.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.72 99.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.38 -40.93 94.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.494 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.85 -40.93 98.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.651 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.4 -44.43 96.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.483 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.99 -41.77 99.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.262 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -60.63 -45.34 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.525 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.38 -42.36 98.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.297 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 9.1 tpp -60.92 -44.21 97.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.332 0.587 . . . . 0.0 110.541 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.84 99.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.318 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' C' ' 48' ' ' LEU . 94.5 mt -65.43 -40.01 92.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.769 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.16 -41.92 97.63 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.364 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.4 -39.72 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.008 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.477 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.1 -43.7 81.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.421 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.532 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 62.0 t-80 -62.36 -37.97 87.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.089999999999999997 110.336 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.54 -44.27 97.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.303 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.36 -43.37 94.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.033 0.444 . . . . 0.0 109.92 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.649 HE21 ' CD2' ' C' ' 74' ' ' LEU . 46.3 tp60 -60.11 -43.25 95.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.215 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.818 HG21 HG22 ' D' ' 356' ' ' THR . 11.1 m -56.5 -43.04 79.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.059999999999999998 110.197 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.86 -40.38 95.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.956 0.408 . . . . 0.0 110.512 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' C' ' 4' ' ' LEU . 95.4 mt -67.83 -36.99 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.785 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.8 -39.33 79.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.971 -0.559 . . . . 0.059999999999999998 110.876 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.524 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.505 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 42.3 tp . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.663 0.268 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.415 ' CG1' HG21 ' C' ' 8' ' ' VAL . 55.0 t -63.15 -44.68 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 130.077 3.351 . . . . 0.0 110.558 -178.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.649 ' CD2' HE21 ' C' ' 55' ' ' GLN . 38.5 mt -63.24 -39.18 93.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.077 0.465 . . . . 0.11 111.087 177.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 45.7 t -59.83 -47.47 91.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.726 -0.67 . . . . 0.40000000000000002 110.221 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 76' ' ' HIS . . . . . 0.438 ' NE2' ' NE2' ' C' ' 80' ' ' HIS . 46.8 t60 -59.38 -46.1 89.6 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.893 -0.323 . . . . 1.02 110.292 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.47 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -62.7 -43.48 98.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.851 0.358 . . . . 0.059999999999999998 110.421 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.05 -38.97 90.75 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.17 -0.468 . . . . 1.0900000000000001 110.238 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' C' ' 83' ' ' THR . 38.3 tp -56.85 -46.51 81.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.493 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.438 ' NE2' ' NE2' ' C' ' 76' ' ' HIS . 87.1 m-70 -67.0 -45.91 76.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.415 . . . . 0.080000000000000002 110.764 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.11 -45.94 92.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.83 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.68 -42.21 98.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.373 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' C' ' 79' ' ' LEU . 23.0 p -64.27 -46.85 81.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.175 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.8 m -61.65 -48.92 78.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.92 -48.6 79.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.502 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.99 -45.18 95.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.171 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.4 -48.12 81.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.962 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.1 -45.69 86.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.216 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.27 -44.01 97.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.13 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.16 -42.87 96.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.185 0.517 . . . . 0.0 110.015 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.647 HD12 ' HB1' ' C' ' 22' ' ' ALA . 75.0 mt -60.04 -42.14 88.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.385 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.47 -45.9 84.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.067 0.46 . . . . 0.0 109.936 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.63 -44.19 96.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.497 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.3 mt -58.88 -43.37 90.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.283 0.563 . . . . 0.0 109.524 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.41 -43.09 96.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.574 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.22 -40.62 90.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.08 0.466 . . . . 0.0 109.796 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 97' ' ' LEU . 81.0 mt -61.93 -41.75 98.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.905 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.0 m80 -59.58 -40.18 86.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.744 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.21 -40.71 97.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.045 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.19 -38.32 90.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.69 -41.74 95.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.35 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -80.66 141.78 34.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.47 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.551 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 121.866 0.841 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.81 143.03 36.66 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.27 38.45 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.992 -1.067 . . . . 0.0 109.593 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.06 149.15 28.51 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.19 152.28 18.98 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.062 -1.024 . . . . 0.0 108.425 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.8 144.29 19.31 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.58 136.59 36.89 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.12 0.962 . . . . 0.0 110.142 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.32 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.91 -4.27 19.32 Favored 'General case' 0 C--N 1.266 -3.052 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.816 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.44 141.75 85.9 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.664 -1.897 . . . . 0.0 110.666 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.42 -47.67 12.73 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 124.732 3.621 . . . . 0.0 114.223 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.532 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 97.6 m-20 -102.1 27.46 6.61 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 116.058 -2.257 . . . . 0.0 108.842 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.44 -126.4 27.78 Favored Glycine 0 N--CA 1.496 2.646 0 C-N-CA 117.713 -2.184 . . . . 0.0 109.595 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.57 78.0 1.81 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.95 -1.324 . . . . 0.0 109.563 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -84.52 176.84 8.37 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 117.851 -1.54 . . . . 0.0 112.095 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 77.1 p -23.34 -69.95 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.24 2.311 . . . . 0.0 117.24 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -45.73 -65.58 0.64 Allowed Pre-proline 0 N--CA 1.492 1.654 0 C-N-CA 120.193 -0.603 . . . . 0.0 112.514 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.57 -32.25 59.0 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.591 1.527 . . . . 0.0 111.501 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.474 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.9 86.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.227 -0.92 . . . . 0.0 109.471 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.85 -39.77 72.73 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.99 -39.35 93.93 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.906 -1.517 . . . . 0.0 109.47 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.66 -45.39 93.03 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 122.627 1.203 . . . . 0.0 108.648 -177.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.474 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.1 t -62.57 -42.29 95.34 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.222 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.681 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -63.81 -40.33 96.37 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.24 -0.912 . . . . 0.0 109.842 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.68 80.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.477 -0.765 . . . . 0.0 109.641 177.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.96 91.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.63 -1.294 . . . . 0.0 109.466 178.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.31 -16.28 44.18 Favored 'General case' 0 N--CA 1.51 2.565 0 O-C-N 121.303 -0.873 . . . . 0.0 113.251 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.56 86.13 Favored Glycine 0 N--CA 1.479 1.566 0 O-C-N 119.919 -1.738 . . . . 0.0 109.278 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.36 32.82 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.192 -1.77 . . . . 0.0 110.022 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.7 p -75.61 -30.06 59.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.259 -0.9 . . . . 0.0 112.31 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.88 158.55 10.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 119.778 -1.826 . . . . 0.0 112.802 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.92 130.26 35.41 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 102.853 -3.017 . . . . 0.0 102.853 171.292 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.58 60.4 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.373 0 CA-C-O 122.197 0.999 . . . . 0.0 109.281 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.87 143.22 50.95 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 123.009 1.385 . . . . 0.0 110.058 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.13 129.94 61.52 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.738 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 173.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.4 m -127.43 119.48 26.24 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.757 -1.214 . . . . 0.0 109.043 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.45 122.55 39.23 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.528 -0.733 . . . . 0.0 109.933 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.75 38.89 24.23 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.841 -1.162 . . . . 0.0 112.761 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.74 11.0 83.47 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 119.985 -1.697 . . . . 0.0 112.455 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.81 136.33 54.51 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 177.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.89 158.53 33.28 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-O 123.826 1.774 . . . . 0.0 112.433 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.65 151.36 31.38 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 112.515 -2.129 . . . . 0.0 108.599 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.58 135.96 48.87 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 173.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.9 -6.8 47.6 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.727 -1.233 . . . . 0.0 110.744 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.51 12.97 31.58 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.703 -1.248 . . . . 0.0 109.4 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.9 t -133.1 104.11 6.36 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.134 0.968 . . . . 0.0 110.128 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.22 -37.86 72.9 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.948 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -58.88 -51.42 70.11 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.558 -1.339 . . . . 0.0 113.045 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.49 70.66 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 119.526 -1.984 . . . . 0.0 109.149 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.61 75.57 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 118.877 -1.129 . . . . 0.0 109.997 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.524 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.6 tp-100 -67.73 -10.4 52.2 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.676 -0.64 . . . . 0.0 109.96 -177.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 38.1 p -89.8 -7.72 53.74 Favored 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 118.167 -1.413 . . . . 0.0 110.945 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.4 159.36 15.28 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.137 -0.977 . . . . 0.0 110.126 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.73 104.9 2.97 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 106.857 -2.497 . . . . 0.0 106.857 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 355' ' ' LEU . . . . . 0.436 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.5 mt -119.63 47.39 1.72 Allowed 'General case' 0 C--N 1.308 -1.211 0 O-C-N 120.668 -1.489 . . . . 0.0 107.409 -178.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.818 HG22 HG21 ' C' ' 56' ' ' THR . 2.4 p -81.41 172.56 13.39 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.814 -1.155 . . . . 0.0 109.192 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.79 140.9 57.45 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 119.341 -0.943 . . . . 0.0 109.79 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.52 -3.28 78.72 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 119.949 -1.119 . . . . 0.0 111.363 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.4 135.94 34.07 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.909 -1.348 . . . . 0.0 110.615 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.58 123.69 48.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.14 160.13 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 C-N-CA 117.322 -1.751 . . . . 0.0 110.665 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.89 128.34 54.83 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.56 -1.337 . . . . 0.0 107.609 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.9 121.39 60.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.25 50.71 Favored 'General case' 0 C--N 1.286 -2.179 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.46 47.22 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 118.497 -1.281 . . . . 0.0 109.747 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.84 6.44 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 118.529 -1.268 . . . . 0.0 108.031 178.151 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.23 -170.32 40.15 Favored Glycine 0 C--N 1.295 -1.706 0 C-N-CA 118.055 -2.021 . . . . 0.0 110.383 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.34 -40.72 82.89 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-N 114.414 -0.893 . . . . 0.0 112.158 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -113.97 36.76 3.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 118.967 -2.333 . . . . 0.0 108.544 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.32 -33.64 65.78 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -174.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.464 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.84 -45.64 27.74 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.54 -1.975 . . . . 0.0 110.95 -176.5 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.779 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.78 97.85 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.58 77.35 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.514 -1.675 . . . . 0.0 110.042 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.86 -42.27 88.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 CA-C-O 122.171 0.986 . . . . 0.0 109.183 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.88 -47.84 76.65 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-O 122.029 0.919 . . . . 0.0 108.774 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.779 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.81 -38.3 76.56 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.69 -178.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.7 mt -75.65 -28.63 58.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.369 -1.457 . . . . 0.0 110.836 -174.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.49 -39.49 70.89 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.454 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.22 63.06 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.19 -45.21 83.95 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.061 -1.056 . . . . 0.0 110.569 177.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.44 -37.3 85.33 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.876 -1.14 . . . . 0.0 111.536 -177.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.97 -31.77 61.54 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.031 -1.043 . . . . 0.0 110.191 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.88 -32.33 45.81 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.52 -0.737 . . . . 0.0 111.317 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -49.98 125.45 12.07 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 124.266 1.984 . . . . 0.0 112.874 178.686 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.816 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.3 tt0 . . . . . 0 C--N 1.277 -2.569 0 CA-C-N 111.153 -2.748 . . . . 0.0 110.121 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 8' ' ' VAL . 93.6 mt . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -46.13 83.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.972 0.415 . . . . 1.9399999999999999 110.421 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -68.67 -34.79 76.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.246 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.73 -42.85 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.389 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.625 HG21 HG13 ' A' ' 73' ' ' VAL . 75.2 t -61.43 -43.5 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.944 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.96 -42.31 89.58 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.52 -0.548 . . . . 0.17999999999999999 109.52 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -41.67 97.65 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -43.03 99.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.245 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.95 -43.88 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.20000000000000001 109.781 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.455 HD11 ' HB1' ' D' ' 320' ' ' ALA . 88.5 mt -64.08 -44.4 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.01 109.948 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.512 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 47.5 t-20 -60.92 -47.01 88.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.74 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.0 m -59.35 -43.43 92.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.043 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.414 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -63.54 -42.12 98.98 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -64.3 -44.55 91.3 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.31 77.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.851 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -60.41 -46.97 88.1 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -54.49 -43.73 72.03 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.19 -42.28 99.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.705 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.78 -49.74 76.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -60.03 -42.3 94.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.538 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.3 93.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.745 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.58 85.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.64 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -45.37 94.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.442 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.47 -42.15 73.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.32 -41.48 97.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.771 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.71 94.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.787 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.49 -29.22 69.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.182 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.45 -4.67 54.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.489 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.71 14.67 69.75 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.34 79.34 2.52 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.737 0.303 . . . . 0.0 110.304 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -64.28 -34.64 78.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.699 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.5 -49.07 76.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.062 0.458 . . . . 0.0 110.753 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.21 80.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.366 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.04 80.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.27 -42.28 99.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.525 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.64 98.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mmm -65.35 -40.8 94.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.498 ' O ' ' OG ' ' A' ' 44' ' ' SER . 91.1 mmm -63.01 -41.12 99.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.681 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.73 -43.35 99.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.013 0.435 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.06 -40.52 97.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.167 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.498 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.94 -45.57 93.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.549 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 70.8 ttt180 -60.07 -42.44 94.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.32 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 89.5 mmm -61.55 -42.72 99.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.235 0.54 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.95 95.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.215 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.37 -39.86 92.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.624 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' A' ' 49' ' ' ASN . 9.0 m120 -61.14 -41.53 96.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.266 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.56 -39.65 91.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.186 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.512 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -68.09 -45.26 74.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.481 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.14 -39.44 90.06 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.089999999999999997 110.385 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.4 mt -60.26 -44.17 95.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.358 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.8 -43.32 93.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.062 0.458 . . . . 0.0 110.031 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' NE2' HD23 ' A' ' 74' ' ' LEU . 67.6 tp60 -59.74 -43.96 94.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.314 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -56.44 -42.71 78.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.059999999999999998 110.062 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.58 -40.37 91.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.399 . . . . 0.0 110.52 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.47 HD22 HD22 ' A' ' 4' ' ' LEU . 97.1 mt -65.53 -37.8 87.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.642 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.2 mt -73.54 -37.07 49.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.050000000000000003 110.851 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 -179.356 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.9 p . . . . . 0 C--O 1.226 -0.173 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.588 ' HG ' HD21 ' B' ' 72' ' ' LEU . 20.8 mt -58.06 -45.77 86.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.625 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.625 HG13 HG21 ' A' ' 8' ' ' VAL . 76.4 t -64.89 -47.53 87.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.856 0.36 . . . . 0.0 110.503 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.404 HD23 ' NE2' ' A' ' 55' ' ' GLN . 87.6 mt -64.07 -43.02 96.7 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.027 0.441 . . . . 0.11 110.936 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 71' ' ' SER . 55.6 t -59.96 -46.85 93.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.802 -0.636 . . . . 0.38 110.167 -179.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.18 -46.32 90.11 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.272 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.41 96.34 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.772 0.32 . . . . 0.059999999999999998 110.658 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.04 -38.81 90.15 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.222 -0.444 . . . . 1.0900000000000001 110.175 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 83' ' ' THR . 42.8 tp -55.98 -46.82 78.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.378 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -67.24 -45.93 75.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.337 -0.392 . . . . 0.080000000000000002 110.74 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.22 -46.23 91.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.813 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.91 -43.08 99.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.176 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.3 p -63.78 -45.92 87.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.098 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.4 t -62.88 -48.94 76.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.458 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.673 ' CE ' HH12 ' B' ' 19' ' ' ARG . 51.6 ttp -57.92 -47.67 82.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.591 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.61 -44.71 96.49 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.088 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.51 -48.14 80.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.403 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 70.1 ttt-85 -58.85 -45.3 90.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.123 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 85' ' ' MET . 1.2 mp0 -60.69 -44.13 96.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.085 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.26 -42.58 96.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.192 0.52 . . . . 0.0 109.889 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 77.0 mt -59.93 -41.47 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.208 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.479 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 99.0 m -57.2 -45.93 83.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.066 0.46 . . . . 0.0 109.906 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.62 -43.49 96.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.612 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.7 mt -59.68 -43.98 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.37 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.54 -43.04 96.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.518 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.38 -40.16 89.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 97' ' ' LEU . 84.2 mt -62.74 -42.23 99.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.886 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.567 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -59.65 -40.34 87.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.49 -40.63 97.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.139 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.58 -38.69 91.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.32 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.439 179.717 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.579 ' O ' HG23 ' B' ' 8' ' ' VAL . 94.0 mt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.596 0.236 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.0 -46.18 82.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.946 0.403 . . . . 1.9399999999999999 110.32 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -68.61 -34.72 76.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.211 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.1 t -63.99 -42.67 96.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.382 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.614 HG21 HG13 ' B' ' 73' ' ' VAL . 76.4 t -61.63 -43.23 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.933 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.12 -42.3 90.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.577 -0.527 . . . . 0.17999999999999999 109.577 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.01 -41.39 97.3 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.154 -1.179 . . . . 0.0 110.154 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.93 -42.94 99.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.01 -44.04 99.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.997 -0.547 . . . . 0.28999999999999998 109.693 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.93 -44.5 97.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.963 -0.562 . . . . 0.02 109.885 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 47.6 t-20 -60.9 -46.8 89.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.86 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.7 m -59.37 -43.53 92.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.109 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -42.03 99.13 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -64.39 -44.58 90.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.27 77.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.925 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.673 HH12 ' CE ' ' A' ' 85' ' ' MET . 73.1 ttt180 -60.5 -46.98 88.15 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.5 m -54.57 -43.46 72.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.32 -42.4 98.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.706 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -59.86 -49.83 76.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.86 -42.5 93.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.639 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.55 92.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.68 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -42.72 85.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.599 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.23 -45.62 93.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.286 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.42 -41.99 73.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.4 -41.41 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.872 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.83 94.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.78 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.46 -29.3 69.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.031 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.51 -4.46 53.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.373 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.42 14.67 70.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -98.16 79.46 2.58 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.755 0.312 . . . . 0.0 110.36 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -64.65 -34.55 78.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.567 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.96 77.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 0.0 110.762 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.16 -34.88 79.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.391 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.16 79.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.14 -42.65 99.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.549 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.61 99.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.697 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.66 -40.7 92.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.479 ' O ' ' OG ' ' B' ' 44' ' ' SER . 91.0 mmm -63.18 -41.02 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.554 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -62.84 -43.29 99.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -63.03 -40.74 98.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.247 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.1 p -61.69 -45.49 93.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.473 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -60.38 -42.22 95.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.323 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.57 -43.01 99.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.312 0.577 . . . . 0.0 110.647 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.02 95.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.166 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.19 -40.1 93.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.716 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -61.0 -41.72 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.285 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.37 -39.71 92.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.153 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.505 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.91 -45.72 73.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.482 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -60.56 -39.6 88.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.089999999999999997 110.28 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 53' ' ' LEU . 39.5 mt -60.3 -44.28 95.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.326 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.66 -43.57 93.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.016 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.403 ' NE2' HD23 ' B' ' 74' ' ' LEU . 67.3 tp60 -59.5 -44.09 93.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.313 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.9 m -56.18 -43.01 78.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.059999999999999998 110.026 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.68 -39.89 90.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.94 0.4 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' B' ' 4' ' ' LEU . 98.7 mt -65.86 -38.02 87.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.16 -37.07 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.038 -0.528 . . . . 0.040000000000000001 110.764 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.554 -179.323 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.579 ' O ' HG23 ' B' ' 75' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 121.012 0.434 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.616 ' HG ' HD21 ' C' ' 72' ' ' LEU . 20.8 mt -60.16 -45.47 92.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.557 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.614 HG13 HG21 ' B' ' 8' ' ' VAL . 73.2 t -63.99 -47.01 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.612 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.403 HD23 ' NE2' ' B' ' 55' ' ' GLN . 87.6 mt -64.53 -42.35 95.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.096 0.474 . . . . 0.11 110.957 -178.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 71' ' ' SER . 55.5 t -60.3 -46.92 94.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.835 -0.62 . . . . 0.38 110.314 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -60.13 -46.59 89.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.883 -0.327 . . . . 1.1100000000000001 110.287 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.22 94.19 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.907 0.384 . . . . 0.059999999999999998 110.384 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.18 -39.04 88.66 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.2 -0.455 . . . . 1.0900000000000001 110.272 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 83' ' ' THR . 42.3 tp -55.96 -46.75 78.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.341 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -67.21 -46.0 75.16 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.8 -0.36 . . . . 0.080000000000000002 110.669 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.06 -46.33 91.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.909 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.93 -43.02 99.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.299 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.481 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.8 p -63.7 -45.98 87.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.152 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 37.7 t -62.39 -49.48 75.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.683 ' CE ' HH12 ' C' ' 19' ' ' ARG . 53.2 ttp -57.32 -48.14 79.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.494 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.33 -44.74 96.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.105 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.24 80.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -58.71 -44.94 90.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.482 ' OE1' ' O ' ' B' ' 85' ' ' MET . 1.2 mp0 -61.02 -44.16 97.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.162 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.26 -42.36 96.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 110.036 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.635 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 77.7 mt -59.9 -41.57 86.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.195 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.471 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 98.2 m -57.3 -45.68 83.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.07 0.462 . . . . 0.0 109.879 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.61 -43.9 95.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.485 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 87.5 mt -59.22 -44.43 92.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.38 -42.84 95.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.49 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.41 -40.66 91.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.3 -42.16 99.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.835 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.5 m80 -59.75 -40.52 88.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -62.38 -40.6 96.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.118 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.71 -38.7 91.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.165 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.5 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.386 179.852 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.586 ' O ' HG23 ' C' ' 8' ' ' VAL . 93.4 mt . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.716 0.293 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.29 -46.02 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 1.9399999999999999 110.405 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.61 -34.41 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.349 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.11 -42.89 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.588 HG21 HG13 ' C' ' 73' ' ' VAL . 78.8 t -61.4 -43.2 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.997 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -59.4 -41.69 90.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.567 -0.531 . . . . 0.17999999999999999 109.567 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.23 -41.83 96.63 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.69 -42.9 99.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.421 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.86 -43.98 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.29999999999999999 109.713 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.1 -44.49 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 0.02 110.071 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.511 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 47.2 t-20 -60.79 -46.62 89.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.789 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 m -59.76 -43.56 94.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.223 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.36 -42.12 99.24 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.159 -1.177 . . . . 0.0 110.159 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -64.14 -45.0 90.41 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.56 -49.66 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.683 HH12 ' CE ' ' B' ' 85' ' ' MET . 73.7 ttt180 -60.0 -47.31 86.34 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -54.27 -43.62 71.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.29 -42.6 99.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.692 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.625 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.32 -49.98 75.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.91 -42.38 93.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.485 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.19 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.728 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.71 86.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.631 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.28 -45.41 94.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.478 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.76 -41.98 74.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.577 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.34 -41.39 96.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.898 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -42.65 93.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.773 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.69 -29.12 69.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.047 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.44 -4.81 55.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.45 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.8 14.7 69.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -98.32 79.44 2.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.73 0.3 . . . . 0.0 110.256 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -64.71 -34.5 78.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.585 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.87 77.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.962 0.41 . . . . 0.0 110.622 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.23 80.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.381 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.76 -48.3 79.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.451 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.12 -42.58 99.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.583 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.8 99.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.756 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.9 mmm -65.55 -40.67 93.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 0.0 110.588 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.495 ' O ' ' OG ' ' C' ' 44' ' ' SER . 91.4 mmm -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.613 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.61 -43.52 98.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.402 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.96 -40.54 97.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.495 ' OG ' ' O ' ' C' ' 41' ' ' MET . 80.3 p -61.86 -45.47 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.34 -42.03 94.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.399 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 89.0 mmm -61.91 -42.65 99.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.382 0.61 . . . . 0.0 110.521 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.21 95.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.351 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.15 -40.04 93.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.781 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.06 -41.35 96.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.359 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.44 -40.26 93.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.095 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.511 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.64 -45.26 75.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.41 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.525 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.2 t60 -60.96 -39.6 90.14 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.02 -0.537 . . . . 0.089999999999999997 110.342 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.47 -44.08 96.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.311 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.76 -43.52 93.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.922 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.411 ' NE2' HD23 ' C' ' 74' ' ' LEU . 67.2 tp60 -59.45 -44.33 92.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.259 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.975 HG21 HG22 ' D' ' 356' ' ' THR . 19.4 m -56.25 -42.8 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.386 . . . . 0.059999999999999998 110.108 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.81 -39.73 90.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.359 . . . . 0.0 110.49 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' C' ' 4' ' ' LEU . 98.7 mt -65.72 -38.1 88.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.772 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.14 -37.31 52.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.047 -0.524 . . . . 0.059999999999999998 110.82 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.552 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.8 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.462 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.616 HD21 ' HG ' ' B' ' 72' ' ' LEU . 14.3 mt . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.604 0.24 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.588 HG13 HG21 ' C' ' 8' ' ' VAL . 67.8 t -65.58 -47.33 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 130.066 3.346 . . . . 0.0 110.64 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.411 HD23 ' NE2' ' C' ' 55' ' ' GLN . 89.0 mt -66.67 -42.05 87.16 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.193 -0.458 . . . . 0.11 110.969 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.76 -47.31 93.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.778 -0.647 . . . . 0.40000000000000002 110.272 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -60.11 -46.74 88.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.868 -0.333 . . . . 1.02 110.304 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -45.18 94.38 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.916 0.389 . . . . 0.059999999999999998 110.413 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -61.13 -39.06 88.61 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.201 -0.454 . . . . 1.0900000000000001 110.281 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.473 ' O ' HG23 ' C' ' 83' ' ' THR . 41.4 tp -55.76 -46.85 77.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -67.32 -45.5 76.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.31 -0.405 . . . . 0.080000000000000002 110.701 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.68 -46.05 91.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.875 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.85 -43.15 99.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.332 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.473 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.6 p -63.89 -45.39 89.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.162 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 38.6 t -63.28 -48.79 76.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 85' ' ' MET . . . . . 0.495 ' O ' ' OE1' ' C' ' 89' ' ' GLU . 53.5 ttp -57.9 -47.97 81.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.527 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.48 -44.69 96.64 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.63 78.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.016 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -58.42 -45.17 88.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.224 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 89' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' C' ' 85' ' ' MET . 1.2 mp0 -60.73 -44.29 96.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.126 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.39 -42.39 96.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.23 0.538 . . . . 0.0 110.029 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.625 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 76.2 mt -59.78 -41.63 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.374 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.485 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 97.8 m -57.18 -45.63 83.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.08 0.467 . . . . 0.0 109.981 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.71 -43.61 96.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.48 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.7 mt -59.6 -44.12 93.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.45 -43.08 96.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.531 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.9 -40.9 90.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.722 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.04 -42.74 99.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.91 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.9 m80 -59.27 -40.62 86.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.735 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.5 tt0 -62.3 -40.85 97.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.068 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.34 -38.66 91.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.229 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.33 -42.36 96.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.339 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 102' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.7 mttp -91.32 141.81 28.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.361 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.461 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.535 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.695 0 CA-C-O 121.846 0.831 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.1 t80 -139.77 142.99 36.71 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.92 156.33 38.71 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.0 -1.063 . . . . 0.0 109.548 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.2 149.19 28.46 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.33 18.93 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.047 -1.033 . . . . 0.0 108.395 178.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.89 144.31 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.73 136.57 37.07 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.162 0.982 . . . . 0.0 110.122 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.88 114.31 24.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.85 -4.32 19.37 Favored 'General case' 0 C--N 1.264 -3.134 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.815 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.82 85.75 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 119.726 -1.859 . . . . 0.0 110.654 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.49 -47.69 12.83 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 124.802 3.668 . . . . 0.0 114.141 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.525 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 95.2 m-20 -102.17 27.61 6.53 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 116.043 -2.263 . . . . 0.0 108.745 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 313' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' D' ' 310' ' ' ALA . . . 71.5 -95.18 0.6 Allowed Glycine 0 N--CA 1.497 2.732 0 C-N-CA 117.685 -2.198 . . . . 0.0 109.55 -175.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.524 ' CD1' ' O ' ' D' ' 314' ' ' LEU . 0.8 OUTLIER -170.0 57.2 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.865 -1.374 . . . . 0.0 109.521 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.457 ' O ' ' O ' ' D' ' 314' ' ' LEU . 3.7 p-80 -52.05 -174.89 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 117.877 -1.529 . . . . 0.0 112.13 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 12.3 p -28.84 -66.78 0.08 Allowed 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -176.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' D' ' 316' ' ' THR . 37.9 ttt-85 -42.67 -66.97 0.37 Allowed Pre-proline 0 N--CA 1.493 1.718 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.495 -177.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.37 -32.17 61.24 Favored 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.568 1.512 . . . . 0.0 111.534 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.478 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.02 -38.87 86.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.254 -0.903 . . . . 0.0 109.451 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.85 -39.73 72.75 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.97 -39.37 93.97 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 118.024 -1.471 . . . . 0.0 109.503 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.67 -45.34 93.23 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 122.593 1.187 . . . . 0.0 108.705 -177.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.478 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.6 t -62.63 -42.24 95.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.276 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.726 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.404 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 60.0 mttm -63.83 -40.24 96.12 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.323 -0.861 . . . . 0.0 109.811 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.528 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.75 80.0 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.473 -0.767 . . . . 0.0 109.578 177.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.04 91.76 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.575 -1.328 . . . . 0.0 109.426 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.23 -16.29 43.56 Favored 'General case' 0 N--CA 1.511 2.577 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.51 86.1 Favored Glycine 0 N--CA 1.479 1.543 0 O-C-N 119.905 -1.747 . . . . 0.0 109.318 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.25 32.97 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.242 -1.74 . . . . 0.0 110.013 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.53 -30.17 59.68 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.193 -0.942 . . . . 0.0 112.285 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.66 158.52 9.97 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 119.742 -1.849 . . . . 0.0 112.81 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.19 35.3 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 102.85 -3.018 . . . . 0.0 102.85 171.224 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.67 136.61 60.31 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 CA-C-O 122.185 0.993 . . . . 0.0 109.325 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.96 143.17 51.02 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 123.137 1.446 . . . . 0.0 109.991 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.2 t -108.01 129.99 61.26 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 N-CA-C 105.507 -2.034 . . . . 0.0 105.507 173.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.52 119.6 26.41 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.838 -1.164 . . . . 0.0 108.927 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.57 122.57 39.18 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.921 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.86 38.86 24.53 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.899 -1.126 . . . . 0.0 112.762 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 11.02 83.55 Favored Glycine 0 N--CA 1.503 3.106 0 O-C-N 119.95 -1.719 . . . . 0.0 112.534 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.27 54.54 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.79 158.57 33.02 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-O 123.802 1.763 . . . . 0.0 112.448 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.4 31.39 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.442 -2.163 . . . . 0.0 108.581 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.61 136.08 48.91 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.07 -6.76 47.7 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 120.751 -1.218 . . . . 0.0 110.691 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.48 12.9 31.76 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.59 -1.319 . . . . 0.0 109.406 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.0 t -133.01 104.19 6.42 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.158 0.98 . . . . 0.0 110.106 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.22 -37.89 72.92 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.007 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -58.92 -51.3 70.65 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.549 -1.345 . . . . 0.0 113.05 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.45 70.48 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.588 -1.945 . . . . 0.0 109.199 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 mt -62.72 -33.81 75.87 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.965 -1.094 . . . . 0.0 109.902 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.552 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.72 -10.32 51.49 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.636 -0.665 . . . . 0.0 109.973 -177.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.3 p -89.84 -7.69 53.73 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 118.052 -1.459 . . . . 0.0 110.961 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.33 159.36 15.3 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.248 -0.907 . . . . 0.0 110.197 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.82 2.97 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 106.897 -2.481 . . . . 0.0 106.897 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 355' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' D' ' 361' ' ' VAL . 78.1 mt -119.59 47.44 1.71 Allowed 'General case' 0 C--N 1.309 -1.18 0 O-C-N 120.726 -1.456 . . . . 0.0 107.431 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.975 HG22 HG21 ' C' ' 56' ' ' THR . 5.0 p -81.49 172.48 13.46 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.196 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.62 140.91 57.23 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.851 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.22 79.01 Favored Glycine 0 N--CA 1.5 2.931 0 C-N-CA 120.029 -1.082 . . . . 0.0 111.35 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.45 135.95 34.05 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.917 -1.343 . . . . 0.0 110.601 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.3 t -96.49 123.72 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.3 m -112.22 160.11 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 117.328 -1.749 . . . . 0.0 110.578 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.3 m -108.89 128.38 54.87 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.536 -1.352 . . . . 0.0 107.646 175.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.83 121.36 60.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 176.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.21 50.7 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.63 153.4 47.32 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.828 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.85 6.44 Favored 'General case' 0 C--N 1.288 -2.093 0 C-N-CA 118.561 -1.255 . . . . 0.0 107.994 178.173 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.37 40.14 Favored Glycine 0 C--N 1.296 -1.658 0 C-N-CA 117.955 -2.069 . . . . 0.0 110.362 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.29 -40.7 82.62 Favored 'General case' 0 C--N 1.274 -2.675 0 CA-C-N 114.381 -0.909 . . . . 0.0 112.16 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.7 3.57 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 115.864 -2.334 . . . . 0.0 108.59 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.45 65.71 Favored 'General case' 0 N--CA 1.522 3.138 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -174.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.472 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.69 26.86 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 119.619 -1.925 . . . . 0.0 110.926 -176.59 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.78 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.47 -40.77 98.01 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 106.978 -1.489 . . . . 0.0 106.978 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.55 77.45 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 117.478 -1.689 . . . . 0.0 110.054 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.84 -42.15 88.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-O 122.172 0.987 . . . . 0.0 109.295 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.89 -47.93 76.52 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-O 122.097 0.951 . . . . 0.0 108.708 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.78 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.85 -38.27 76.41 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.684 -178.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.437 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.69 -28.57 58.7 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.331 -1.481 . . . . 0.0 110.839 -174.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.52 71.08 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.22 63.04 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.528 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.24 -45.26 84.09 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 119.044 -1.062 . . . . 0.0 110.485 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.34 -37.38 85.44 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.924 -1.11 . . . . 0.0 111.558 -177.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.66 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.132 -0.98 . . . . 0.0 110.275 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.88 -32.24 45.82 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.575 -0.703 . . . . 0.0 111.354 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.14 125.5 12.44 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 124.302 2.001 . . . . 0.0 112.843 178.705 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.815 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.4 mm-40 . . . . . 0 C--N 1.277 -2.557 0 CA-C-N 111.055 -2.793 . . . . 0.0 110.15 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.5 mt . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.36 -46.33 80.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.919 0.39 . . . . 1.9399999999999999 110.276 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -67.72 -37.08 81.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.276 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.5 -42.3 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.427 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 4' ' ' LEU . 73.0 t -60.49 -44.34 96.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.912 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.7 mtp -58.94 -42.42 89.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.514 -0.55 . . . . 0.17999999999999999 109.514 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.21 -41.98 98.11 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.2 -43.33 98.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.14 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.16 -44.43 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.20000000000000001 109.733 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.75 -43.93 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.01 109.955 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -61.49 -46.28 90.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.786 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -61.05 -43.56 98.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.951 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.578 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -64.02 -44.82 95.34 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.134 -1.187 . . . . 0.0 110.134 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -63.51 -44.25 94.86 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.1 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.868 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.52 -46.74 87.98 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.8 m -55.13 -44.74 75.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.72 -42.81 97.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.724 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.539 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.21 -51.37 70.27 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.52 -41.29 89.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.587 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.85 89.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.775 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.69 88.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.671 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.12 -45.1 96.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.477 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.56 -42.34 74.53 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.74 -40.9 94.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.823 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.45 94.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.689 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.6 -28.7 69.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.187 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.9 -4.67 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.447 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.51 59.93 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -102.32 77.93 1.7 Allowed 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.75 0.31 . . . . 0.0 110.246 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CE1' ' OE1' ' A' ' 99' ' ' GLU . 91.7 m-85 -65.21 -33.79 76.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.652 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.02 -48.34 79.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.115 0.483 . . . . 0.0 110.745 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.31 80.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.369 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.25 77.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.606 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.21 -43.83 98.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.63 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.65 98.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.821 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.1 mtt -65.4 -40.3 93.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.455 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.454 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 89.3 mmm -63.62 -41.4 98.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.59 -45.24 93.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.032 0.444 . . . . 0.0 110.555 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.9 -41.5 97.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.247 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 m -61.4 -45.37 94.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' HA ' HH11 ' A' ' 88' ' ' ARG . 70.9 ttt180 -60.82 -42.74 98.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.306 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.77 -44.22 97.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.209 0.528 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.616 HD21 ' OG ' ' A' ' 84' ' ' SER . 11.9 mt -66.0 -39.97 90.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.758 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.16 -42.71 95.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.267 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.74 -39.26 93.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.198 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -44.25 77.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.462 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -62.08 -38.83 90.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.089999999999999997 110.363 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.6 mt -60.65 -44.23 96.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.347 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.16 -43.3 95.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 0.0 110.013 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -60.13 -43.34 95.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.221 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.6 m -57.03 -42.84 81.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.059999999999999998 109.979 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.6 -39.41 93.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.956 0.408 . . . . 0.0 110.56 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.531 HD22 ' CD2' ' A' ' 4' ' ' LEU . 97.8 mt -62.97 -28.28 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.687 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -89.87 -31.17 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.050000000000000003 110.8 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.601 179.875 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.522 -0.12 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.06 -42.02 84.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.596 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.617 HG13 HG21 ' A' ' 8' ' ' VAL . 67.1 t -64.4 -46.53 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.896 0.379 . . . . 0.0 110.551 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.09 -42.42 96.94 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.996 0.427 . . . . 0.11 110.879 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.93 -47.08 93.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.793 -0.64 . . . . 0.38 110.233 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -60.15 -45.26 93.67 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.29 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.81 89.87 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.772 0.32 . . . . 0.059999999999999998 110.6 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -61.97 -39.91 93.78 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 116.179 -0.464 . . . . 1.0900000000000001 110.17 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.718 HD21 ' SD ' ' C' ' 82' ' ' MET . 40.8 tp -56.22 -46.54 79.48 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.375 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -67.68 -46.17 73.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.296 -0.411 . . . . 0.080000000000000002 110.723 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.06 -46.56 88.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.782 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.5 ' SD ' HD21 ' B' ' 79' ' ' LEU . 80.7 mtp -61.07 -43.91 98.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.195 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.7 p -61.27 -44.45 97.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.109 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.616 ' OG ' HD21 ' A' ' 48' ' ' LEU . 45.0 t -62.76 -47.75 82.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.452 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.21 -48.11 79.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.449 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.04 -44.15 97.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.924 0.392 . . . . 0.0 110.16 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -46.2 89.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.819 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.424 HH11 ' HA ' ' A' ' 45' ' ' ARG . 55.2 ttp180 -58.48 -46.69 86.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.141 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.74 -43.56 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.017 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.55 -43.38 94.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.197 0.522 . . . . 0.0 109.96 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.539 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 77.6 mt -61.04 -42.92 94.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.318 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.454 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 20.0 m -57.03 -46.11 82.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.433 . . . . 0.0 109.85 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.545 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.4 mt-10 -63.38 -42.66 98.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.537 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.2 mt -60.05 -42.78 95.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.57 -42.79 92.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.552 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.572 ' OE1' ' NZ ' ' B' ' 30' ' ' LYS . 85.2 tt0 -63.24 -37.62 87.95 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.8 mt -63.38 -41.45 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.901 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -60.4 -39.3 86.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.563 ' OE1' ' CE1' ' A' ' 34' ' ' PHE . 50.7 tp10 -59.56 -39.16 83.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.167 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.02 -35.38 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.189 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.406 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.7 mt . . . . . 0 CA--C 1.521 -0.173 0 CA-C-O 120.587 0.232 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.32 -46.44 80.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 1.9399999999999999 110.292 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -67.6 -36.98 81.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.18 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.412 HG11 HD11 ' B' ' 58' ' ' LEU . 79.6 t -63.53 -42.58 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 4' ' ' LEU . 69.2 t -60.31 -44.29 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.873 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.7 mtp -59.19 -42.08 90.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.561 -0.533 . . . . 0.17999999999999999 109.561 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.52 -41.84 97.75 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.4 -43.02 98.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.737 0.303 . . . . 0.0 110.302 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.64 -44.23 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.28999999999999998 109.672 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.67 -44.15 98.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.02 109.921 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.22 -46.24 91.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.808 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -61.31 -43.59 98.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.109 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.87 -44.48 96.05 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -63.79 -44.49 93.21 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.13 74.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.955 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.35 -46.68 87.94 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -55.29 -44.59 75.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.87 -42.94 97.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.664 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.537 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -59.07 -51.37 70.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.4 -41.35 89.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.701 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.4 89.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.782 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.47 86.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.619 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.67 -44.84 96.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.327 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.87 -42.0 75.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.75 -41.25 95.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.857 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.59 93.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.673 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' OE1' ' A' ' 96' ' ' GLU . 68.0 mttm -61.51 -28.96 69.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.047 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -81.79 -4.77 57.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.98 17.31 59.68 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -102.43 77.62 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 0.0 110.257 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.57 ' CE1' ' OE1' ' B' ' 99' ' ' GLU . 91.9 m-85 -64.92 -34.05 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.77 77.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.012 0.434 . . . . 0.0 110.766 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.21 80.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.455 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.19 77.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.502 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.48 -43.86 98.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.556 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.03 97.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.17 -40.49 94.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.448 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 89.8 mmm -63.45 -41.55 98.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.584 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.44 -45.4 93.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.481 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.81 -41.18 97.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.293 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -61.95 -45.24 94.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.491 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.427 ' HA ' HH11 ' B' ' 88' ' ' ARG . 70.3 ttt180 -60.72 -42.8 97.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.247 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 66.2 ttp -60.63 -44.35 96.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.312 0.577 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.41 98.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.129 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.609 HD21 ' OG ' ' B' ' 84' ' ' SER . 11.8 mt -65.91 -39.97 91.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.745 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.22 -42.72 95.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.38 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.55 -39.38 93.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.191 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.37 78.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.462 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -62.2 -38.68 90.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.089999999999999997 110.253 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.82 -44.05 97.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.398 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.23 -43.32 95.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.958 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.07 -43.52 95.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 99.6 m -56.98 -42.8 80.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.059999999999999998 109.991 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -39.24 93.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.535 HD22 ' CD2' ' B' ' 4' ' ' LEU . 97.4 mt -63.12 -28.11 69.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.739 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -89.71 -31.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 0.040000000000000001 110.721 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 -179.768 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.402 ' O ' HG23 ' B' ' 75' ' ' VAL . 19.1 p . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 121.115 0.483 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.42 -41.62 94.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.626 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.61 HG13 HG21 ' B' ' 8' ' ' VAL . 60.5 t -63.47 -45.46 97.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.608 -178.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.98 -41.67 95.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.11 110.962 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 71' ' ' SER . 53.7 t -60.2 -47.27 92.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.843 -0.617 . . . . 0.38 110.296 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -59.92 -45.76 91.55 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.838 -0.345 . . . . 1.1100000000000001 110.325 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.89 92.02 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.895 0.378 . . . . 0.059999999999999998 110.41 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -62.24 -40.45 96.21 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.12 -0.491 . . . . 1.0900000000000001 110.271 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.528 ' O ' HG23 ' B' ' 83' ' ' THR . 40.7 tp -55.61 -46.55 77.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.336 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -67.69 -46.4 72.39 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.763 -0.375 . . . . 0.080000000000000002 110.705 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.77 -46.78 88.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.797 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' MET . . . . . 0.484 ' SD ' HD21 ' C' ' 79' ' ' LEU . 80.4 mtp -60.91 -44.03 97.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.227 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.528 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.1 p -61.16 -44.11 97.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.152 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.609 ' OG ' HD21 ' B' ' 48' ' ' LEU . 43.8 t -63.15 -47.33 83.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.645 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.6 -47.92 80.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.522 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.02 -44.25 97.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 110.111 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.54 88.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.9 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' B' ' 45' ' ' ARG . 55.1 ttp180 -58.22 -47.1 84.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.208 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.25 -43.43 98.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.177 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.75 -43.33 93.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.135 0.493 . . . . 0.0 110.057 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.537 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 76.7 mt -60.96 -42.84 94.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.174 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.448 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 19.5 m -57.28 -46.13 83.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.072 0.463 . . . . 0.0 109.842 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.2 mt-10 -63.19 -43.02 99.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.513 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.545 HD13 ' OE1' ' A' ' 93' ' ' GLU . 77.0 mt -59.58 -43.05 93.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.45 -43.12 93.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.494 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' C' ' 30' ' ' LYS . 84.9 tt0 -62.78 -38.16 89.52 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' B' ' 97' ' ' LEU . 34.5 mt -62.86 -41.72 99.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.769 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -60.08 -39.69 86.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.57 ' OE1' ' CE1' ' B' ' 34' ' ' PHE . 50.9 tp10 -59.34 -39.11 82.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.088 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.14 -35.32 80.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.141 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.386 179.754 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.67 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.5 mt . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.617 0.246 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.45 -46.31 80.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 1.9399999999999999 110.376 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -67.68 -37.27 82.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.342 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.403 HG11 HD11 ' C' ' 58' ' ' LEU . 79.1 t -62.89 -42.92 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.67 HG23 ' O ' ' C' ' 4' ' ' LEU . 69.5 t -60.02 -44.35 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.019 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -59.34 -41.62 89.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.608 -0.515 . . . . 0.17999999999999999 109.608 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -42.18 97.42 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.88 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.325 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.08 -44.55 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.29999999999999999 109.75 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.66 -43.95 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.969 -0.56 . . . . 0.02 110.08 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.44 -45.85 92.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.798 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -61.61 -43.7 98.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.139 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.87 -44.27 96.36 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.79 -43.97 94.77 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.91 75.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.765 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -59.84 -46.44 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -55.43 -44.6 76.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.71 -43.09 97.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.723 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.54 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.01 -51.4 70.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.41 -41.6 89.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.562 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.28 88.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 -42.66 86.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.567 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.32 -45.21 95.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.392 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.52 -42.37 74.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.88 -40.66 93.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.937 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.6 94.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.783 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' B' ' 96' ' ' GLU . 68.0 mttm -61.75 -28.95 69.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.074 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -81.32 -4.95 57.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.517 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.85 17.5 59.61 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -102.3 78.17 1.72 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.725 0.298 . . . . 0.0 110.211 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.564 ' CE1' ' OE1' ' C' ' 99' ' ' GLU . 91.1 m-85 -65.58 -33.84 76.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.509 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.22 79.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.042 0.449 . . . . 0.0 110.744 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.38 80.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.36 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.19 -48.06 77.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.473 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.41 -43.71 98.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.617 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.96 97.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.776 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.5 mtt -65.06 -40.38 94.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.465 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 89.8 mmm -63.72 -41.44 98.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.66 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.45 -45.42 93.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.368 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.0 -40.89 97.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.3 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 63.4 m -61.86 -45.49 93.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.427 ' HA ' HH11 ' C' ' 88' ' ' ARG . 70.6 ttt180 -60.57 -42.91 97.59 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.32 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.69 -44.09 96.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.308 0.575 . . . . 0.0 110.527 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.02 97.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.304 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.612 HD21 ' OG ' ' C' ' 84' ' ' SER . 11.8 mt -65.66 -39.87 91.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.34 -42.69 96.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.269 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.49 -39.57 94.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.004 0.43 . . . . 0.0 110.004 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -44.39 77.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.421 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -61.82 -38.76 89.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.089999999999999997 110.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 53' ' ' LEU . 43.5 mt -61.22 -43.59 98.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.314 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.64 -43.03 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.922 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -60.21 -43.7 95.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.233 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 56' ' ' THR . . . . . 1.027 HG21 HG22 ' D' ' 356' ' ' THR . 99.1 m -56.96 -42.84 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.059999999999999998 110.174 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.58 -39.1 92.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 110.506 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.529 HD22 ' CD2' ' C' ' 4' ' ' LEU . 97.6 mt -62.95 -28.36 70.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.811 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -89.7 -31.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.977 -0.556 . . . . 0.059999999999999998 110.831 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.539 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.505 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 72' ' ' LEU . 74.9 mt . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.635 0.255 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.56 HG13 HG21 ' C' ' 8' ' ' VAL . 59.3 t -64.29 -46.35 93.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 130.153 3.381 . . . . 0.0 110.627 -178.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.52 -41.72 88.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.222 -0.444 . . . . 0.11 111.004 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.11 -48.09 89.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.821 -0.627 . . . . 0.40000000000000002 110.255 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -59.74 -45.55 91.86 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.914 -0.314 . . . . 1.02 110.268 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.58 91.41 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.934 0.397 . . . . 0.059999999999999998 110.412 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -62.4 -39.79 94.4 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.243 -0.435 . . . . 1.0900000000000001 110.244 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.526 ' O ' HG23 ' C' ' 83' ' ' THR . 40.6 tp -56.26 -46.67 79.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.426 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' C' ' 83' ' ' THR . 74.7 m-70 -67.63 -46.34 72.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.325 -0.398 . . . . 0.080000000000000002 110.64 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.81 -46.57 88.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.796 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 82' ' ' MET . . . . . 0.718 ' SD ' HD21 ' A' ' 79' ' ' LEU . 80.1 mtp -61.15 -43.63 98.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.526 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.2 p -61.58 -43.94 97.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.192 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 84' ' ' SER . . . . . 0.612 ' OG ' HD21 ' C' ' 48' ' ' LEU . 40.5 t -63.31 -47.36 82.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -57.39 -48.09 79.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.504 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.14 -44.32 97.52 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.148 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.62 87.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.01 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' C' ' 45' ' ' ARG . 55.3 ttp180 -58.02 -47.47 82.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.248 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.8 -43.64 97.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.156 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.69 -43.67 92.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.158 0.504 . . . . 0.0 109.98 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.54 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 76.8 mt -60.52 -42.86 92.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.423 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.465 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 19.4 m -57.32 -45.95 83.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.024 0.44 . . . . 0.0 109.963 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.47 -42.96 98.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.521 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' B' ' 93' ' ' GLU . 75.8 mt -59.44 -43.02 93.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.4 -43.37 93.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.588 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.42 -38.19 88.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.713 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.79 -41.86 99.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.879 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -59.82 -39.75 86.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.711 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 99' ' ' GLU . . . . . 0.564 ' OE1' ' CE1' ' C' ' 34' ' ' PHE . 50.6 tp10 -59.5 -39.15 82.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.094 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.97 -35.2 79.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.245 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 88.9 mt -81.88 -3.15 53.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 57.26 24.97 10.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.564 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.66 0 CA-C-O 121.908 0.861 . . . . 0.0 108.944 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.74 143.04 36.8 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.31 38.51 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.96 -1.088 . . . . 0.0 109.537 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.18 28.52 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.4 18.89 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.999 -1.063 . . . . 0.0 108.396 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.89 144.35 19.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.7 136.61 36.98 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.126 0.965 . . . . 0.0 110.116 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.97 114.33 24.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.92 -4.28 19.31 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.821 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.87 85.85 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.644 -1.91 . . . . 0.0 110.579 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.51 -47.69 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 124.812 3.674 . . . . 0.0 114.137 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -102.18 27.62 6.52 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 116.039 -2.265 . . . . 0.0 108.775 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.82 -123.11 21.44 Favored Glycine 0 N--CA 1.496 2.681 0 C-N-CA 117.638 -2.22 . . . . 0.0 109.63 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.16 80.94 1.91 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.914 -1.345 . . . . 0.0 109.485 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.409 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 4.9 p-80 -88.06 175.61 7.67 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 117.88 -1.528 . . . . 0.0 112.071 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 11.4 p -22.04 -66.51 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.578 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 9.3 ttt-85 -48.52 -65.68 0.73 Allowed Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 120.139 -0.625 . . . . 0.0 112.493 -177.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.8 Cg_endo -64.78 -32.21 56.66 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 121.26 1.306 . . . . 0.0 111.513 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.507 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.8 86.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.233 -0.917 . . . . 0.0 109.518 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.82 72.58 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -63.93 -39.45 94.19 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.026 -1.47 . . . . 0.0 109.441 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.62 -45.39 93.06 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.627 1.203 . . . . 0.0 108.7 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.507 HG23 ' O ' ' D' ' 319' ' ' ALA . 62.7 t -62.54 -42.37 95.6 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.32 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.609 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -63.75 -40.41 96.64 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.247 -0.908 . . . . 0.0 109.796 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.68 -39.77 80.42 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.464 -0.773 . . . . 0.0 109.597 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.99 -44.09 91.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.655 -1.278 . . . . 0.0 109.392 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.25 -16.27 43.62 Favored 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.63 86.03 Favored Glycine 0 N--CA 1.478 1.491 0 O-C-N 119.939 -1.726 . . . . 0.0 109.338 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.45 143.35 32.82 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.262 -1.728 . . . . 0.0 110.046 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.6 p -75.53 -30.07 59.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.178 -0.951 . . . . 0.0 112.394 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.73 158.6 10.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 119.855 -1.778 . . . . 0.0 112.761 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.27 35.34 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 102.782 -3.044 . . . . 0.0 102.782 171.263 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.68 60.11 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 CA-C-O 122.253 1.025 . . . . 0.0 109.289 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.96 143.18 51.02 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-O 123.089 1.423 . . . . 0.0 109.98 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.13 129.97 61.47 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.691 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 173.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.2 m -127.46 119.56 26.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.927 -1.108 . . . . 0.0 108.935 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.63 39.34 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.926 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.67 38.98 24.22 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.857 -1.152 . . . . 0.0 112.798 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 11.09 83.5 Favored Glycine 0 N--CA 1.503 3.123 0 O-C-N 119.91 -1.744 . . . . 0.0 112.5 177.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.3 54.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.76 158.52 33.1 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-O 123.781 1.753 . . . . 0.0 112.432 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.39 31.41 Favored 'General case' 0 C--N 1.279 -2.5 0 CA-C-N 112.539 -2.119 . . . . 0.0 108.621 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.61 135.92 48.79 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.91 -6.81 47.65 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.658 -1.277 . . . . 0.0 110.731 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.5 12.97 31.55 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.698 -1.251 . . . . 0.0 109.408 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.9 t -133.08 104.18 6.39 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 122.232 1.015 . . . . 0.0 110.193 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.5 tp -57.26 -37.88 73.01 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.952 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -58.95 -51.3 70.64 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.566 -1.334 . . . . 0.0 113.057 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.47 70.66 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 119.542 -1.974 . . . . 0.0 109.205 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.85 -33.8 76.01 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.896 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 351' ' ' GLN . . . . . 0.539 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.57 -10.48 52.24 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.634 -0.666 . . . . 0.0 109.929 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 30.9 p -89.81 -7.65 53.87 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 118.124 -1.43 . . . . 0.0 110.931 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.8 mt -93.4 159.29 15.32 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.208 -0.932 . . . . 0.0 110.152 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.86 2.97 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 106.916 -2.474 . . . . 0.0 106.916 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.58 47.42 1.71 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.668 -1.489 . . . . 0.0 107.387 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 356' ' ' THR . . . . . 1.027 HG22 HG21 ' C' ' 56' ' ' THR . 2.0 p -81.42 172.5 13.46 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.222 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.68 140.92 57.3 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.893 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.38 -3.16 79.13 Favored Glycine 0 N--CA 1.501 2.99 0 C-N-CA 120.031 -1.081 . . . . 0.0 111.351 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.43 135.88 34.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.88 -1.365 . . . . 0.0 110.593 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.47 123.75 48.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 106.355 -1.721 . . . . 0.0 106.355 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.23 160.0 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 C-N-CA 117.427 -1.709 . . . . 0.0 110.631 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.87 128.44 54.91 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.598 -1.314 . . . . 0.0 107.592 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.88 121.37 60.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.31 50.71 Favored 'General case' 0 C--N 1.285 -2.223 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 -179.548 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.5 47.2 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.67 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.77 6.4 Favored 'General case' 0 C--N 1.288 -2.07 0 C-N-CA 118.567 -1.253 . . . . 0.0 108.015 178.16 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.37 40.16 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 118.074 -2.013 . . . . 0.0 110.372 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.24 -40.7 82.41 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.418 -0.891 . . . . 0.0 112.224 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 115.897 -2.321 . . . . 0.0 108.583 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -33.58 65.77 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 -174.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.442 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.97 -45.6 26.97 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.593 -1.942 . . . . 0.0 110.925 -176.486 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.777 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.7 97.72 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.49 77.66 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 117.462 -1.695 . . . . 0.0 110.006 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.81 -42.21 88.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-O 122.185 0.993 . . . . 0.0 109.29 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.88 -47.94 76.48 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 122.037 0.922 . . . . 0.0 108.743 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.777 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.74 -38.38 76.82 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.696 -178.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.6 -28.6 58.96 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.389 -1.444 . . . . 0.0 110.9 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.58 71.27 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.39 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.8 -49.28 63.22 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.3 -45.17 84.44 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.004 -1.078 . . . . 0.0 110.52 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.39 85.51 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.93 -1.106 . . . . 0.0 111.508 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.85 61.61 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.059 -1.025 . . . . 0.0 110.21 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.81 -32.34 46.26 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.496 -0.753 . . . . 0.0 111.369 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.09 125.48 12.32 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 124.288 1.994 . . . . 0.0 112.859 178.723 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.821 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.565 0 CA-C-N 111.139 -2.755 . . . . 0.0 110.184 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.52 139.86 58.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.4 mt-10 -60.4 134.85 57.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.468 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 8' ' ' VAL . 62.7 mt -38.39 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.422 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.87 -47.13 78.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.963 0.411 . . . . 1.9399999999999999 110.285 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.9 tt0 -67.53 -35.51 79.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.266 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.12 -43.11 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 4' ' ' LEU . 77.7 t -60.82 -44.35 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.906 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.14 -42.56 90.96 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.509 -0.552 . . . . 0.17999999999999999 109.509 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.88 97.38 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' A' ' 55' ' ' GLN . 39.0 mt -62.94 -42.69 99.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.391 . . . . 0.0 110.202 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.02 -44.27 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.20000000000000001 109.763 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.51 HD11 ' HB1' ' D' ' 320' ' ' ALA . 86.9 mt -63.54 -43.99 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.01 110.02 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -61.01 -46.43 90.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.771 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -59.93 -44.67 94.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.963 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -62.01 -41.93 99.7 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.44 -44.08 95.56 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.64 -48.85 78.32 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.853 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.89 -45.93 92.64 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -55.42 -43.77 75.64 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.22 -41.99 98.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.721 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.19 -48.92 77.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.49 -41.35 89.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.617 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.33 89.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.775 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.36 90.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.671 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.23 -45.63 93.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.369 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' NZ ' ' OE1' ' A' ' 31' ' ' GLN . 66.4 tttm -55.08 -43.17 73.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.42 -41.95 90.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.763 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.4 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.684 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.19 -30.04 70.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.149 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.528 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 27.3 mt-30 -82.98 -4.46 58.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.435 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.51 17.72 67.94 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -99.78 79.52 2.24 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.792 0.33 . . . . 0.0 110.301 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.6 -33.87 76.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.664 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.97 81.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.027 0.442 . . . . 0.0 110.763 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.1 79.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.351 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.92 81.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.578 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -61.1 -43.02 99.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.597 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.6 99.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.758 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.1 mtt -65.72 -41.96 91.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.469 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.437 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.3 mtm -64.14 -41.35 97.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.667 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.41 -45.45 93.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.491 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.86 -40.76 97.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.5 m -61.22 -45.45 94.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.517 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -61.11 -42.38 98.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.267 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.71 -43.54 97.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.197 0.522 . . . . 0.0 110.611 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.89 99.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.24 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.97 -39.86 94.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.58 -42.2 98.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.24 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.04 -40.54 91.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.215 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.39 -43.76 80.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.445 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.66 -38.16 89.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.089999999999999997 110.387 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.09 -44.18 97.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.313 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.4 -43.19 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.04 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.568 ' NE2' ' HB1' ' A' ' 77' ' ' ALA . 11.8 tp-100 -60.27 -42.94 96.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.226 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -57.08 -42.6 81.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.059999999999999998 110.062 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -62.19 -38.52 89.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.985 0.422 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.96 -30.11 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.67 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' CG1' HD22 ' A' ' 74' ' ' LEU . 84.6 mt -83.7 -32.98 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.049 -0.523 . . . . 0.050000000000000003 110.885 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -85.23 -7.06 59.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.69 116.86 0.75 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 63' ' ' ALA . 68.2 t0 -158.25 -121.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.56 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.538 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . -65.87 147.39 53.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.496 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.92 -81.37 1.35 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -63.24 128.86 37.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.898 0.38 . . . . 0.0 110.689 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.8 29.42 74.72 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -53.64 123.37 12.03 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.738 0.304 . . . . 0.0 110.42 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -103.89 136.76 42.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.653 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' NZ ' ' OE1' ' B' ' 5' ' ' GLU . 53.0 mtmt -62.89 -44.92 94.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' B' ' 76' ' ' HIS . 21.9 t -106.56 126.57 62.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.676 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.562 ' O ' HG23 ' A' ' 75' ' ' VAL . 9.3 p -128.1 161.2 29.78 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.4 mt -57.41 -45.89 84.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.613 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.602 HG13 HG21 ' A' ' 8' ' ' VAL . 74.7 t -64.19 -47.39 90.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.913 0.387 . . . . 0.0 110.598 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' CG1' ' A' ' 59' ' ' ILE . 90.3 mt -63.81 -41.81 97.82 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 116.204 -0.453 . . . . 0.11 110.886 -178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 71' ' ' SER . 55.4 t -59.87 -47.7 90.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.766 -0.652 . . . . 0.38 110.201 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -58.99 -46.26 88.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.832 0.349 . . . . 0.0 110.355 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.568 ' HB1' ' NE2' ' A' ' 55' ' ' GLN . . . -64.42 -44.06 92.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.434 -0.348 . . . . 0.059999999999999998 110.634 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -61.99 -40.1 94.47 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.256 -0.429 . . . . 1.0900000000000001 110.2 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.649 HD21 ' SD ' ' C' ' 82' ' ' MET . 46.1 tp -56.99 -46.47 82.22 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.374 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.611 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 77.7 m-70 -67.79 -46.7 71.21 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.679 -0.408 . . . . 0.080000000000000002 110.734 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.7 -46.13 91.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.839 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.55 ' SD ' HD21 ' B' ' 79' ' ' LEU . 80.1 mtp -63.43 -42.9 98.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.212 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.2 p -64.41 -48.39 75.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.09 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.45 -49.11 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.465 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 tpp -57.67 -47.78 81.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.592 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.9 -44.75 96.15 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.027 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -48.16 82.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.9 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -58.44 -45.39 88.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.12 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.1 mt-10 -61.33 -43.66 98.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.042 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.23 -42.77 96.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.156 0.503 . . . . 0.0 109.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.553 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.1 mt -60.43 -42.49 91.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.278 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.0 m -57.53 -46.02 84.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.057 0.456 . . . . 0.0 109.904 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.516 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.5 mt-10 -63.35 -43.2 98.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.594 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.32 -42.84 92.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.368 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.437 HD12 ' SD ' ' A' ' 41' ' ' MET . 89.3 mt -61.62 -42.72 95.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.482 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.508 ' HG2' ' HZ3' ' A' ' 100' ' ' LYS . 84.6 tt0 -60.96 -39.22 88.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.508 HD21 ' NE2' ' B' ' 98' ' ' HIS . 79.9 mt -62.28 -42.27 99.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.91 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -59.33 -39.59 83.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 103' ' ' ALA . 83.9 tt0 -60.73 -41.93 96.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.175 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.508 ' HZ3' ' HG2' ' A' ' 96' ' ' GLU . 61.0 mttp -64.58 -37.72 88.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.186 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt -64.78 -41.48 95.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.421 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -92.23 -5.92 51.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.496 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.97 139.64 58.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.1 mt-10 -60.3 135.01 57.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.426 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.641 ' O ' HG23 ' B' ' 8' ' ' VAL . 61.9 mt -38.56 -36.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.504 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.492 ' OE1' ' NZ ' ' A' ' 69' ' ' LYS . 79.2 mm-40 -64.93 -46.97 79.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.931 0.396 . . . . 1.9399999999999999 110.396 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.3 tt0 -67.69 -35.5 78.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.215 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.06 -43.24 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 4' ' ' LEU . 81.1 t -60.91 -44.3 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.889 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.12 -42.24 90.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.506 -0.553 . . . . 0.17999999999999999 109.506 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.32 -41.51 96.59 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' B' ' 55' ' ' GLN . 39.6 mt -63.13 -42.27 99.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.828 0.347 . . . . 0.0 110.363 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.57 -44.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 0.28999999999999998 109.657 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.24 -44.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.991 -0.55 . . . . 0.02 109.939 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.77 -46.75 89.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.772 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 12.0 t -59.36 -44.66 92.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.191 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.35 -42.09 99.72 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.15 -43.55 98.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.08 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.845 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.53 -45.66 93.0 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -55.75 -43.61 76.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.21 -42.22 99.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.652 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.573 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.23 -48.73 78.09 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.413 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.0 m-85 -59.45 -41.36 89.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.669 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.12 90.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.697 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.32 90.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.6 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.55 -45.19 95.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.319 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.523 ' NZ ' ' OE1' ' B' ' 31' ' ' GLN . 66.4 tttm -55.59 -43.0 75.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -59.75 -41.46 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.869 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.49 91.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.776 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.18 -30.15 70.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.044 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.523 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 27.3 mt-30 -82.82 -4.75 58.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.77 18.06 66.55 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -100.01 78.98 2.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.32 . . . . 0.0 110.326 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -64.49 -33.71 76.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.543 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.33 80.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.02 79.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.418 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.1 80.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.512 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -60.89 -43.32 98.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.524 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.95 99.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.737 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 60.8 mtt -65.47 -42.15 92.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.425 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.2 mtm -63.75 -41.77 97.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.63 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.26 -45.37 93.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.446 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.66 -41.2 98.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.31 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.8 m -60.8 -45.9 92.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.479 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -60.68 -42.27 96.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.358 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.77 -43.8 97.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.345 0.593 . . . . 0.0 110.671 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.95 99.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.115 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.408 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 13.9 mt -64.92 -39.62 93.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.75 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.85 -42.06 98.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.322 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.06 -40.67 91.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.209 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.12 -44.11 80.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.418 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.51 -38.17 88.88 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.089999999999999997 110.261 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.04 -43.96 98.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.32 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.63 -43.2 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.119 0.485 . . . . 0.0 110.003 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.602 ' NE2' ' HB1' ' B' ' 77' ' ' ALA . 11.7 tp-100 -60.45 -42.67 96.6 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.256 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -57.58 -42.37 83.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.059999999999999998 109.964 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -62.09 -38.91 90.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 0.0 110.531 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 58' ' ' LEU . 97.9 mt -65.45 -30.45 71.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.747 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.47 ' CG1' HD22 ' B' ' 74' ' ' LEU . 83.6 mt -83.4 -33.0 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.035 -0.529 . . . . 0.040000000000000001 110.771 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -85.44 -6.75 59.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.8 116.6 0.74 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' B' ' 63' ' ' ALA . 68.1 t0 -158.41 -121.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.513 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.522 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . -65.73 147.13 53.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.472 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.82 -81.39 1.34 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -63.15 128.52 36.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.31 29.59 75.45 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.97 123.8 13.62 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.628 0.252 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -104.41 136.85 43.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.692 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.424 ' NZ ' ' OE1' ' C' ' 5' ' ' GLU . 52.6 mtmt -63.06 -44.62 95.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' C' ' 76' ' ' HIS . 18.7 t -107.38 126.07 63.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.778 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.608 ' O ' HG23 ' B' ' 75' ' ' VAL . 12.6 p -127.3 163.7 23.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.572 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.42 -45.57 93.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.569 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.587 HG13 HG21 ' B' ' 8' ' ' VAL . 71.4 t -63.38 -46.54 95.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.617 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.47 HD22 ' CG1' ' B' ' 59' ' ' ILE . 90.0 mt -64.32 -41.42 96.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.11 110.97 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 71' ' ' SER . 54.6 t -60.09 -47.33 92.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.768 -0.651 . . . . 0.38 110.249 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.425 ' HB2' HG11 ' A' ' 70' ' ' VAL . 57.3 t60 -59.5 -46.16 89.63 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.866 -0.334 . . . . 1.1100000000000001 110.297 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.602 ' HB1' ' NE2' ' B' ' 55' ' ' GLN . . . -64.09 -44.21 93.02 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.942 0.401 . . . . 0.059999999999999998 110.457 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.15 -40.42 95.91 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 116.141 -0.482 . . . . 1.0900000000000001 110.194 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.55 HD21 ' SD ' ' A' ' 82' ' ' MET . 44.2 tp -56.67 -46.49 81.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.389 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -68.12 -46.18 71.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.387 -0.37 . . . . 0.080000000000000002 110.688 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.23 -46.21 91.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.849 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' MET . . . . . 0.528 ' SD ' HD21 ' C' ' 79' ' ' LEU . 80.1 mtp -63.19 -43.01 99.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.254 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.3 p -64.36 -48.3 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.25 -49.01 78.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.612 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpp -57.82 -48.01 80.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.469 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.63 -44.6 96.69 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.143 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.81 84.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.933 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.408 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 73.0 ttp85 -58.37 -45.56 88.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.186 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.9 mt-10 -61.37 -43.66 98.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.17 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.09 -42.67 96.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 110.018 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.573 HD12 ' HB1' ' B' ' 22' ' ' ALA . 80.5 mt -60.64 -42.32 91.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 86.1 m -57.77 -45.62 85.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.069 0.462 . . . . 0.0 109.86 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.521 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.6 mt-10 -63.8 -42.97 97.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.519 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.516 HD13 ' OE1' ' A' ' 93' ' ' GLU . 76.0 mt -59.48 -43.12 93.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.425 HD12 ' SD ' ' B' ' 41' ' ' MET . 88.5 mt -61.34 -42.92 95.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.489 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.511 ' HG2' ' HZ3' ' B' ' 100' ' ' LYS . 84.0 tt0 -60.58 -39.61 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.731 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.517 HD21 ' NE2' ' C' ' 98' ' ' HIS . 80.4 mt -62.12 -41.98 98.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.876 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.508 ' NE2' HD21 ' A' ' 97' ' ' LEU . 51.9 m170 -59.5 -39.52 84.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.759 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' B' ' 103' ' ' ALA . 83.6 tt0 -60.92 -41.95 97.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.076 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' LYS . . . . . 0.511 ' HZ3' ' HG2' ' B' ' 96' ' ' GLU . 61.0 mttp -64.62 -37.52 87.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.83 -41.57 95.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.387 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -92.26 -6.26 50.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.61 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.559 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.97 140.1 58.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.6 mt-10 -60.67 135.13 57.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.35 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.662 ' O ' HG23 ' C' ' 8' ' ' VAL . 63.0 mt -38.52 -36.9 0.27 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.415 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLU . . . . . 0.424 ' OE1' ' NZ ' ' B' ' 69' ' ' LYS . 79.2 mm-40 -64.87 -47.13 79.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 1.9399999999999999 110.361 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.5 tt0 -67.4 -35.48 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.36 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.16 -42.96 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.337 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.662 HG23 ' O ' ' C' ' 4' ' ' LEU . 82.9 t -60.91 -44.27 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.032 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.7 mtp -59.26 -42.29 90.8 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.616 -0.513 . . . . 0.17999999999999999 109.616 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -41.74 97.1 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' C' ' 55' ' ' GLN . 38.6 mt -63.0 -42.88 99.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.342 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.0 -44.13 99.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.29999999999999999 109.727 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.38 -43.95 98.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.049 -0.523 . . . . 0.02 110.033 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -61.19 -46.3 91.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.791 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.93 -44.55 94.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.126 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.41 -42.2 99.72 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.94 -43.84 97.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -49.3 77.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.748 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.64 -45.46 93.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 67.1 m -55.64 -44.21 76.92 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.74 -42.19 98.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.784 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.24 -48.88 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.425 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.3 m-85 -59.52 -41.23 89.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.537 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.38 90.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.71 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.12 91.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.581 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.56 -45.13 95.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.371 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' LYS . . . . . 0.526 ' NZ ' ' OE1' ' C' ' 31' ' ' GLN . 66.4 tttm -55.68 -42.67 75.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -60.11 -40.99 91.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.92 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.86 92.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.805 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.92 -30.26 70.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.049 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.526 ' OE1' ' NZ ' ' C' ' 27' ' ' LYS . 27.3 mt-30 -82.52 -5.07 58.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.475 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.06 18.15 65.66 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.17 79.27 2.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.722 0.296 . . . . 0.0 110.318 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -64.79 -33.74 76.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.558 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.24 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.986 0.422 . . . . 0.0 110.617 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.37 -34.78 79.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.07 80.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.541 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -60.95 -43.33 98.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.601 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.26 99.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.39 -42.06 93.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.429 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.8 mtm -63.86 -41.78 97.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.638 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.36 -45.48 92.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.415 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.57 -40.85 98.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.288 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -61.18 -45.52 94.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.531 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -61.26 -41.77 97.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.319 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -61.06 -43.83 98.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.343 0.592 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.99 99.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.367 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.401 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 13.6 mt -64.97 -39.47 93.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.731 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -62.27 -41.72 98.72 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.35 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.22 -40.77 90.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.95 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.31 -43.84 80.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.421 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.592 ' CD2' ' OD1' ' D' ' 312' ' ' ASN . 84.3 t60 -62.66 -38.26 89.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.089999999999999997 110.282 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 53' ' ' LEU . 37.8 mt -61.09 -43.93 98.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.357 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.55 -43.25 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.963 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.609 ' NE2' ' HB1' ' C' ' 77' ' ' ALA . 11.7 tp-100 -60.26 -43.05 96.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.27 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.845 HG21 HG22 ' D' ' 356' ' ' THR . 18.6 m -57.2 -42.46 81.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.059999999999999998 110.147 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -62.21 -38.4 89.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.916 0.388 . . . . 0.0 110.513 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.407 HD22 HD22 ' C' ' 4' ' ' LEU . 97.9 mt -65.79 -30.35 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.77 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.472 ' CG1' HD22 ' C' ' 74' ' ' LEU . 82.8 mt -83.5 -32.94 9.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.942 -0.572 . . . . 0.059999999999999998 110.88 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.5 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.1 mm-40 -85.4 -6.77 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.428 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.7 116.52 0.73 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.537 ' CG ' ' H ' ' C' ' 63' ' ' ALA . 68.3 t0 -158.48 -121.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 110.422 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.537 ' H ' ' CG ' ' C' ' 62' ' ' ASP . . . -65.73 146.96 54.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.468 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.71 -80.94 1.34 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -63.53 128.47 35.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 0.0 110.601 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.39 29.33 74.77 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -53.44 123.62 12.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 110.534 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -104.46 136.83 43.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.59 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -63.02 -44.61 95.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 t -107.1 125.8 63.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.786 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.616 ' O ' HG23 ' C' ' 75' ' ' VAL . 13.4 p -126.31 165.71 18.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.503 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.88 -44.65 96.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.705 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.583 HG13 HG21 ' C' ' 8' ' ' VAL . 65.0 t -64.81 -47.21 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 130.213 3.405 . . . . 0.0 110.606 -178.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.472 HD22 ' CG1' ' C' ' 59' ' ' ILE . 94.1 mt -66.07 -41.42 90.77 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.075 0.464 . . . . 0.11 111.017 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.616 HG23 ' O ' ' C' ' 71' ' ' SER . 54.5 t -60.16 -48.05 89.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.78 -0.645 . . . . 0.40000000000000002 110.231 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.427 ' HB2' HG11 ' B' ' 70' ' ' VAL . 56.5 t60 -58.91 -46.69 87.3 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.867 -0.333 . . . . 1.02 110.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.609 ' HB1' ' NE2' ' C' ' 55' ' ' GLN . . . -64.03 -43.85 94.32 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.059999999999999998 110.427 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.24 -40.31 95.72 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.308 -0.405 . . . . 1.0900000000000001 110.235 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.528 HD21 ' SD ' ' B' ' 82' ' ' MET . 45.9 tp -57.1 -46.12 82.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.487 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -68.28 -46.27 70.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.3 -0.409 . . . . 0.080000000000000002 110.662 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.09 -46.13 91.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.884 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' MET . . . . . 0.649 ' SD ' HD21 ' A' ' 79' ' ' LEU . 81.3 mtp -63.43 -42.87 98.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.307 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.509 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -64.35 -48.39 75.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.125 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.2 -49.22 78.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.558 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpp -57.52 -47.94 80.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.709 0.29 . . . . 0.0 110.557 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.7 -44.8 96.25 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.187 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.87 83.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.401 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 73.0 ttp85 -58.5 -45.65 88.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.198 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.96 -43.7 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.194 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.24 -43.03 96.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.134 0.492 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.563 HD12 ' HB1' ' C' ' 22' ' ' ALA . 79.2 mt -60.24 -42.14 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.387 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 88.5 m -57.96 -45.48 86.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.068 0.461 . . . . 0.0 109.972 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.93 -42.82 97.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.504 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.521 HD13 ' OE1' ' B' ' 93' ' ' GLU . 77.0 mt -59.48 -43.01 93.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.429 HD12 ' SD ' ' C' ' 41' ' ' MET . 88.7 mt -61.48 -42.79 95.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.636 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 96' ' ' GLU . . . . . 0.449 ' HG2' ' HZ3' ' C' ' 100' ' ' LYS . 84.2 tt0 -60.49 -39.9 89.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.83 -42.4 98.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.832 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.517 ' NE2' HD21 ' B' ' 97' ' ' LEU . 52.6 m170 -59.23 -39.7 83.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' C' ' 103' ' ' ALA . 83.4 tt0 -60.66 -42.17 96.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.094 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 100' ' ' LYS . . . . . 0.449 ' HZ3' ' HG2' ' C' ' 96' ' ' GLU . 61.0 mttp -64.4 -37.52 87.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.147 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -64.91 -41.58 95.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.35 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.31 -6.59 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 121.877 0.846 . . . . 0.0 108.95 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.72 143.06 36.84 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.06 156.31 38.5 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.984 -1.072 . . . . 0.0 109.554 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.16 149.11 28.41 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.39 18.85 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.976 -1.077 . . . . 0.0 108.41 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.84 144.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.69 136.62 36.96 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 122.142 0.973 . . . . 0.0 110.142 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -85.0 114.29 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.84 -4.29 19.42 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.62 141.77 85.48 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.629 -1.919 . . . . 0.0 110.609 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.46 -47.64 12.85 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.769 3.646 . . . . 0.0 114.156 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.592 ' OD1' ' CD2' ' C' ' 52' ' ' HIS . 99.9 m-20 -102.1 27.47 6.6 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 116.131 -2.228 . . . . 0.0 108.842 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.56 -130.03 31.18 Favored Glycine 0 N--CA 1.497 2.708 0 C-N-CA 117.734 -2.174 . . . . 0.0 109.571 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.68 77.42 1.59 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.003 -1.292 . . . . 0.0 109.51 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.06 175.04 9.79 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 117.867 -1.533 . . . . 0.0 112.153 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.539 ' OG1' ' O2 ' ' D' ' 200' ' ' PO3 . 65.5 p -22.98 -69.99 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 117.257 2.318 . . . . 0.0 117.257 -176.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.432 ' HE ' ' HA3' ' A' ' 16' ' ' GLY . 33.5 ttt-85 -44.8 -65.47 0.62 Allowed Pre-proline 0 N--CA 1.494 1.727 0 C-N-CA 120.141 -0.624 . . . . 0.0 112.553 -177.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.49 -32.21 59.87 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 C-N-CA 121.865 1.71 . . . . 0.0 111.473 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.473 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.97 -38.88 86.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.153 -0.967 . . . . 0.0 109.485 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.51 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.9 -39.73 72.59 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.9 -39.39 94.08 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.975 -1.49 . . . . 0.0 109.551 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.36 93.17 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.573 1.178 . . . . 0.0 108.686 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.3 t -62.69 -42.17 95.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.654 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.447 ' HZ1' HD12 ' A' ' 13' ' ' ILE . 92.1 mttt -63.96 -40.24 95.97 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.282 -0.886 . . . . 0.0 109.762 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.71 -39.67 80.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.448 -0.782 . . . . 0.0 109.62 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.96 92.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.571 -1.331 . . . . 0.0 109.395 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.29 -16.31 44.3 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 121.281 -0.887 . . . . 0.0 113.303 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.54 86.09 Favored Glycine 0 N--CA 1.477 1.431 0 O-C-N 119.913 -1.742 . . . . 0.0 109.337 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.49 143.38 32.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.24 -1.741 . . . . 0.0 110.018 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.57 -30.06 59.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.243 -0.91 . . . . 0.0 112.362 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.8 158.52 10.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 119.789 -1.82 . . . . 0.0 112.801 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.59 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.27 35.35 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 102.838 -3.023 . . . . 0.0 102.838 171.306 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.68 136.62 60.28 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 CA-C-O 122.208 1.004 . . . . 0.0 109.29 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.99 143.14 51.05 Favored 'General case' 0 C--N 1.285 -2.221 0 CA-C-O 123.154 1.454 . . . . 0.0 110.018 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.9 t -108.11 129.89 61.57 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.692 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.34 119.57 26.55 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.845 -1.16 . . . . 0.0 108.961 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.6 122.61 39.26 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.909 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.82 38.9 24.47 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.931 -1.106 . . . . 0.0 112.712 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 10.96 83.64 Favored Glycine 0 N--CA 1.502 3.041 0 O-C-N 119.934 -1.728 . . . . 0.0 112.577 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.31 54.53 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.79 158.53 33.13 Favored 'General case' 0 C--N 1.275 -2.645 0 CA-C-O 123.776 1.75 . . . . 0.0 112.444 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.75 151.38 31.31 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-N 112.396 -2.184 . . . . 0.0 108.572 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.61 135.99 48.85 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.76 47.53 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.674 -1.266 . . . . 0.0 110.763 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.54 12.93 31.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.717 -1.239 . . . . 0.0 109.295 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.3 t -133.01 104.17 6.41 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.141 0.972 . . . . 0.0 110.179 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.27 -37.94 73.13 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.9 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -58.89 -51.35 70.4 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.539 -1.351 . . . . 0.0 113.094 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.43 70.52 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 119.537 -1.977 . . . . 0.0 109.221 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.75 -33.75 75.8 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.004 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.5 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.62 -10.42 51.98 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.649 -0.657 . . . . 0.0 109.947 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.5 p -89.91 -7.63 53.71 Favored 'General case' 0 N--CA 1.502 2.139 0 C-N-CA 118.086 -1.446 . . . . 0.0 110.901 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.0 mt -93.36 159.26 15.33 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.21 -0.931 . . . . 0.0 110.153 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.65 104.81 2.96 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 106.981 -2.448 . . . . 0.0 106.981 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.5 mt -119.62 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.142 0 O-C-N 120.664 -1.492 . . . . 0.0 107.381 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.845 HG22 HG21 ' C' ' 56' ' ' THR . 5.2 p -81.41 172.61 13.33 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.228 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -60.72 140.92 57.35 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.401 -0.92 . . . . 0.0 109.83 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.2 79.25 Favored Glycine 0 N--CA 1.501 2.987 0 C-N-CA 120.047 -1.073 . . . . 0.0 111.361 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.35 135.85 34.13 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.891 -1.358 . . . . 0.0 110.748 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.6 t -96.45 123.74 48.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.2 m -112.22 160.1 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.298 0 C-N-CA 117.373 -1.731 . . . . 0.0 110.619 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.6 m -108.89 128.37 54.86 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 120.503 -1.373 . . . . 0.0 107.598 175.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.84 121.36 60.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.21 50.7 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.41 47.17 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 118.481 -1.288 . . . . 0.0 109.743 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.83 6.43 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 118.595 -1.242 . . . . 0.0 108.019 178.211 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.32 40.15 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 117.918 -2.086 . . . . 0.0 110.295 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.67 82.84 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 114.363 -0.918 . . . . 0.0 112.161 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.04 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 118.934 -2.353 . . . . 0.0 108.588 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.32 -33.51 65.65 Favored 'General case' 0 N--CA 1.522 3.167 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.454 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.97 -45.63 26.83 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 119.547 -1.971 . . . . 0.0 110.914 -176.515 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.781 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.74 97.86 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.58 77.36 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 117.55 -1.66 . . . . 0.0 110.085 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.91 -42.12 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 CA-C-O 122.182 0.992 . . . . 0.0 109.262 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.9 -47.95 76.51 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.016 0.912 . . . . 0.0 108.707 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.781 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.78 -38.29 76.64 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.705 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' D' ' 377' ' ' LEU . 79.9 mt -75.65 -28.57 58.81 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.37 -1.456 . . . . 0.0 110.837 -174.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.52 71.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.479 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.15 63.49 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.31 -45.15 84.5 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 118.946 -1.101 . . . . 0.0 110.553 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.41 -37.37 85.56 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.94 -1.1 . . . . 0.0 111.526 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.87 -31.89 61.73 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.136 -0.977 . . . . 0.0 110.216 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.82 -32.32 46.2 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.478 -0.763 . . . . 0.0 111.372 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.04 125.44 12.14 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 124.293 1.997 . . . . 0.0 112.916 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 11.3 pt-20 . . . . . 0 C--N 1.277 -2.58 0 CA-C-N 111.167 -2.742 . . . . 0.0 110.138 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.611 ' O2 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.31 141.85 58.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.513 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 6' ' ' GLU . 82.9 tt0 -62.43 -41.45 98.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.469 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.688 ' O ' HG23 ' A' ' 8' ' ' VAL . 62.0 mt -37.82 -31.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.378 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.494 ' OE2' ' SD ' ' C' ' 68' ' ' MET . 98.2 mt-10 -65.37 -44.53 87.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.872 0.368 . . . . 1.9399999999999999 110.216 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.7 tt0 -67.2 -36.24 81.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.193 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.514 HG11 HD11 ' A' ' 58' ' ' LEU . 85.8 t -64.01 -42.24 95.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 4' ' ' LEU . 94.1 t -60.27 -44.81 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.932 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.405 ' CE ' HD22 ' D' ' 347' ' ' LEU . 90.6 mtp -59.44 -41.75 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.5 -0.555 . . . . 0.17999999999999999 109.5 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.43 -41.92 97.83 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.8 -42.91 99.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.227 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.32 -44.05 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.20000000000000001 109.721 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.514 HD11 ' HB1' ' D' ' 320' ' ' ALA . 88.8 mt -63.51 -44.56 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.01 109.984 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.509 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.9 t-20 -60.97 -46.11 92.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.776 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -60.54 -43.45 97.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.941 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.42 -43.27 98.49 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -62.2 -44.47 96.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.05 81.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.877 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.522 ' NH2' ' OG1' ' A' ' 83' ' ' THR . 42.9 ttm180 -61.23 -46.11 91.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -56.62 -43.18 79.94 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.27 -41.83 98.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.708 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.27 -48.32 79.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -60.43 -41.01 93.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.572 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.5 95.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.815 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.33 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.714 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.44 -45.39 94.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.508 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.15 -42.68 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.31 -41.22 93.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.772 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.35 95.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.745 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.24 -29.91 70.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.119 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -80.07 -4.16 51.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.46 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.4 13.76 72.76 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.33 79.76 2.57 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.766 0.317 . . . . 0.0 110.3 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -64.96 -33.69 76.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.624 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.42 78.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.086 0.469 . . . . 0.0 110.753 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.38 80.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.91 88.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.86 -40.53 97.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.616 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.6 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.742 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.6 mmm -64.63 -40.41 95.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.455 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 4.2 mmt -62.57 -41.64 99.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.608 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.96 -42.74 99.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 0.0 110.584 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -62.7 -39.8 95.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.213 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.42 ' HB3' ' HE ' ' A' ' 88' ' ' ARG . 39.7 t -61.95 -45.22 94.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.516 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 60.7 ttt85 -60.66 -42.25 96.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.349 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.7 mtt -61.96 -43.13 99.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 110.572 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.95 96.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.192 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.19 -40.31 94.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.657 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.9 -42.16 97.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.3 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.37 -40.45 93.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.204 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.509 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.44 -44.32 83.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.469 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -62.65 -37.84 87.97 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.03 -0.532 . . . . 0.089999999999999997 110.412 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.8 mt -61.22 -44.36 97.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.338 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.99 -43.75 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.055 0.455 . . . . 0.0 110.027 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.477 ' NE2' ' CB ' ' A' ' 77' ' ' ALA . 5.6 tp-100 -60.69 -42.81 97.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -55.99 -43.78 77.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.059999999999999998 110.027 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.41 -39.95 89.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 110.563 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.514 HD11 HG11 ' A' ' 7' ' ' VAL . 96.2 mt -67.96 -38.13 82.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.702 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -67.93 -39.79 82.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.048 -0.523 . . . . 0.050000000000000003 110.882 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -79.78 -14.82 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.474 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.6 -20.98 27.71 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -94.87 -23.11 17.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.578 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.77 87.91 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.466 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.432 ' H ' ' HD2' ' A' ' 67' ' ' LYS . . . -73.86 171.33 52.23 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -69.43 117.77 11.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.753 0.311 . . . . 0.0 110.738 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.56 6.21 89.33 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HD2' ' H ' ' A' ' 64' ' ' GLY . 47.1 tttm -69.02 133.23 47.84 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.694 0.283 . . . . 0.0 110.495 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.468 ' SD ' ' OE2' ' B' ' 5' ' ' GLU . 98.1 mmm -46.87 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.679 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 17.9 tptp -123.83 -127.82 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.914 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' H ' ' CG ' ' A' ' 69' ' ' LYS . 34.1 m -92.79 -143.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.649 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.2 p -132.86 167.76 19.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.66 -44.68 81.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.578 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.459 ' CG1' HG21 ' A' ' 8' ' ' VAL . 52.9 t -62.28 -45.71 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.0 110.537 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.54 -39.69 91.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.283 -0.417 . . . . 0.11 110.93 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.4 t -59.46 -47.35 91.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.752 -0.658 . . . . 0.38 110.227 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -58.18 -45.6 87.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.759 0.314 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.477 ' CB ' ' NE2' ' A' ' 55' ' ' GLN . . . -63.32 -40.83 98.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.552 -0.294 . . . . 0.059999999999999998 110.586 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -62.32 -40.46 96.4 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.238 -0.437 . . . . 1.0900000000000001 110.209 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 83' ' ' THR . 39.3 tp -57.43 -46.47 83.53 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.375 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.592 ' CE1' ' O3 ' ' D' ' 200' ' ' PO3 . 87.0 m-70 -67.78 -47.47 69.09 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.737 -0.385 . . . . 0.080000000000000002 110.736 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -60.95 -45.79 93.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.849 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.28 -43.29 99.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.193 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.522 ' OG1' ' NH2' ' A' ' 19' ' ' ARG . 22.5 p -63.74 -46.15 86.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.092 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.8 m -62.12 -50.1 73.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.413 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.2 ttp -57.45 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.562 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.01 -43.89 97.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.16 82.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.825 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.42 ' HE ' ' HB3' ' A' ' 44' ' ' SER . 67.8 ttt-85 -58.88 -45.82 89.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.068 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -60.59 -44.2 96.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.096 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.44 -42.6 95.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.182 0.515 . . . . 0.0 109.863 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.573 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.9 mt -60.89 -42.36 92.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.326 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.455 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 81.8 m -58.18 -45.91 86.7 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.513 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.8 mt-10 -63.2 -43.3 98.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.57 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.557 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 74.7 mt -59.82 -43.02 94.73 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.97 -43.08 95.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.498 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -62.1 -39.07 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 97' ' ' LEU . 35.9 mt -62.81 -41.76 99.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.9 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.557 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -60.08 -39.18 85.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.048 0.452 . . . . 0.0 109.811 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 103' ' ' ALA . 84.6 tt0 -61.78 -40.33 94.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.178 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.98 -38.32 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.51 -41.04 96.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.351 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.3 -9.26 39.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.496 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.492 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.42 141.76 58.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.509 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' B' ' 6' ' ' GLU . 82.8 tt0 -62.28 -41.39 98.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.689 ' O ' HG23 ' B' ' 8' ' ' VAL . 61.7 mt -37.88 -31.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.508 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.468 ' OE2' ' SD ' ' A' ' 68' ' ' MET . 97.7 mt-10 -65.36 -44.71 86.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.986 0.422 . . . . 1.9399999999999999 110.345 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.0 tt0 -66.71 -36.15 81.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.162 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.494 HG11 HD11 ' B' ' 58' ' ' LEU . 87.4 t -64.47 -42.12 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.338 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 4' ' ' LEU . 93.3 t -60.47 -44.54 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.898 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.6 -41.79 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.512 -0.551 . . . . 0.17999999999999999 109.512 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.16 97.58 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 11' ' ' LEU . 35.8 mt -62.54 -42.71 99.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.857 0.36 . . . . 0.0 110.409 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.65 -43.92 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.28999999999999998 109.719 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.56 -44.64 98.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.946 -0.57 . . . . 0.02 109.997 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.509 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.4 t-20 -60.81 -45.99 92.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.849 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -60.82 -43.13 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.196 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.86 -42.65 98.35 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -62.79 -44.35 96.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.86 82.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.944 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OG1' ' B' ' 83' ' ' THR . 43.0 ttm180 -61.02 -46.36 91.07 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -56.33 -43.59 79.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.11 -41.89 98.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.719 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.567 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.17 -48.63 78.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.478 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 23.4 m-85 -60.19 -40.88 91.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.677 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.72 95.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.743 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.5 90.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.617 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.39 -45.55 93.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.322 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.19 -42.44 73.24 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.74 -40.99 94.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.848 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.35 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.761 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.22 -30.04 70.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.094 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -79.93 -4.33 51.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.453 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.61 13.77 72.13 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.14 79.74 2.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.835 0.35 . . . . 0.0 110.304 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -65.09 -33.61 76.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.708 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.95 76.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.004 0.43 . . . . 0.0 110.755 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.37 80.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.434 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.23 86.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.527 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.61 -40.89 98.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.572 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.51 96.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.702 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 94.7 mmm -64.88 -40.54 95.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.471 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 4.0 mmt -62.51 -41.79 99.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.562 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -62.6 -42.91 99.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.41 -39.95 94.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.279 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.417 ' HB3' ' HE ' ' B' ' 88' ' ' ARG . 38.9 t -62.04 -45.23 94.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.422 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.55 -42.13 95.94 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.318 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -61.93 -43.49 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.301 0.572 . . . . 0.0 110.681 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.86 97.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.104 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 48' ' ' LEU . 92.6 mt -65.52 -40.05 92.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.75 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -61.19 -41.82 97.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.379 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.76 -40.2 91.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.084 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.509 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.69 -44.28 82.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.435 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.79 -37.73 87.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.089999999999999997 110.308 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.7 mt -61.34 -44.42 97.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.365 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.92 -44.08 96.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.128 0.489 . . . . 0.0 110.044 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.492 ' NE2' ' HB3' ' B' ' 77' ' ' ALA . 5.6 tp-100 -60.35 -42.74 96.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.257 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.11 -43.69 78.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.059999999999999998 109.966 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.6 -39.72 89.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.958 0.409 . . . . 0.0 110.561 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.494 HD11 HG11 ' B' ' 7' ' ' VAL . 96.1 mt -68.18 -37.95 81.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.703 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.96 -39.86 82.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.040000000000000001 110.839 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -79.92 -14.59 58.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.82 -20.71 27.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -95.19 -23.07 17.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.53 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.69 88.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.399 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.443 ' H ' ' HD2' ' B' ' 67' ' ' LYS . . . -74.27 170.96 53.14 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -69.04 117.86 11.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.701 0.286 . . . . 0.0 110.655 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.44 6.06 89.51 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.443 ' HD2' ' H ' ' B' ' 64' ' ' GLY . 47.2 tttm -68.94 133.56 48.36 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.627 0.251 . . . . 0.0 110.527 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' MET . . . . . 0.48 ' SD ' ' OE2' ' C' ' 5' ' ' GLU . 98.0 mmm -47.16 -88.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.416 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 18.1 tptp -123.87 -127.69 0.25 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.764 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.416 ' H ' ' CG ' ' B' ' 69' ' ' LYS . 34.2 m -91.06 -144.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.837 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 52.4 p -132.44 169.28 16.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.537 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.29 -44.28 92.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.499 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.455 ' CG1' HG21 ' B' ' 8' ' ' VAL . 53.5 t -61.79 -45.01 99.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.92 -39.29 91.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.067 0.46 . . . . 0.11 110.919 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.52 -47.13 91.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.825 -0.625 . . . . 0.38 110.248 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.426 ' NE2' ' NE2' ' B' ' 80' ' ' HIS . 60.8 t60 -58.25 -46.14 86.51 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.893 -0.323 . . . . 1.1100000000000001 110.302 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.492 ' HB3' ' NE2' ' B' ' 55' ' ' GLN . . . -62.96 -40.9 99.09 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.818 0.342 . . . . 0.059999999999999998 110.361 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -62.25 -40.45 96.23 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.158 -0.473 . . . . 1.0900000000000001 110.259 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 83' ' ' THR . 38.9 tp -57.71 -46.17 84.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.376 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.426 ' NE2' ' NE2' ' B' ' 76' ' ' HIS . 87.4 m-70 -67.96 -47.06 69.66 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.756 -0.378 . . . . 0.080000000000000002 110.746 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.32 -45.69 93.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.876 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.31 -43.12 99.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.255 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.542 HG23 ' O ' ' B' ' 79' ' ' LEU . 23.6 p -63.99 -45.88 87.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.185 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -62.19 -50.16 72.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.3 -48.15 79.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.429 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.01 -43.76 98.16 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.109 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.14 82.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.894 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.417 ' HE ' ' HB3' ' B' ' 44' ' ' SER . 68.4 ttt-85 -58.81 -46.07 88.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.243 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.498 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.1 mt-10 -60.26 -44.43 95.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.056 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.32 -42.42 96.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 110.06 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.567 HD12 ' HB1' ' B' ' 22' ' ' ALA . 74.7 mt -60.97 -42.62 93.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.194 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.471 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 72.6 m -58.04 -45.94 86.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.077 0.465 . . . . 0.0 109.857 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.507 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -62.97 -43.42 98.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.506 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.1 mt -59.68 -42.91 93.99 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.3 mt -61.24 -43.09 95.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.55 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.74 -39.65 92.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.731 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.8 mt -62.2 -42.23 99.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.864 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -59.65 -39.49 84.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.759 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' B' ' 103' ' ' ALA . 83.6 tt0 -61.66 -40.39 94.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.143 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.9 -38.56 91.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.173 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.8 mt -64.12 -41.3 97.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.14 -9.0 40.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.397 0 CA-C-O 117.866 -1.064 . . . . 0.0 110.496 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.29 141.75 58.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.653 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' C' ' 6' ' ' GLU . 83.4 tt0 -62.15 -41.63 98.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.695 ' O ' HG23 ' C' ' 8' ' ' VAL . 60.9 mt -37.68 -31.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.433 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' GLU . . . . . 0.48 ' OE2' ' SD ' ' B' ' 68' ' ' MET . 97.5 mt-10 -65.11 -44.8 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.813 0.339 . . . . 1.9399999999999999 110.353 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.0 tt0 -66.69 -36.21 81.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.28 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.515 HG11 HD11 ' C' ' 58' ' ' LEU . 88.5 t -64.14 -42.8 96.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.311 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.695 HG23 ' O ' ' C' ' 4' ' ' LEU . 93.5 t -59.81 -44.65 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.049 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.66 -41.8 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.545 -0.539 . . . . 0.17999999999999999 109.545 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.08 97.96 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' C' ' 11' ' ' LEU . 35.6 mt -62.65 -42.73 99.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.884 0.373 . . . . 0.0 110.412 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.49 -43.95 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.29999999999999999 109.715 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.4 -44.74 99.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.013 -0.539 . . . . 0.02 110.041 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.514 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.3 t-20 -60.73 -46.01 92.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.807 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -60.7 -43.55 97.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.155 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.51 -42.91 98.8 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -62.38 -44.6 96.08 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.51 80.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.798 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OG1' ' C' ' 83' ' ' THR . 42.9 ttm180 -60.72 -46.53 90.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -56.41 -43.33 79.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -62.12 -41.79 98.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.671 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.588 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.12 -49.03 77.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.498 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -59.86 -41.42 91.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.536 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.63 94.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.655 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.12 91.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.551 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.83 -45.11 95.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.418 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.55 -42.4 74.58 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.8 -41.04 94.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.935 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.23 94.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.795 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.55 -29.63 70.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.052 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -80.23 -4.34 52.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.43 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.89 13.45 72.08 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -97.84 79.93 2.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.737 0.303 . . . . 0.0 110.246 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.24 -34.03 77.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.521 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.68 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.075 0.464 . . . . 0.0 110.676 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.3 80.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.404 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.81 88.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.477 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.95 -41.13 99.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.562 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.56 96.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.738 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 94.9 mmm -64.96 -40.58 95.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.449 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 4.1 mmt -62.63 -41.47 99.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.607 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.89 -42.94 99.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.912 0.387 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -62.44 -39.7 94.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.266 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.416 ' HB3' ' HE ' ' C' ' 88' ' ' ARG . 38.5 t -62.29 -45.23 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.57 -42.08 95.91 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.417 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 60.3 mtt -61.96 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.335 0.588 . . . . 0.0 110.504 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.74 97.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.311 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.3 mt -65.82 -40.23 91.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.675 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.98 -42.02 97.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.347 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.18 -40.86 94.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.029 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.514 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.43 -44.18 83.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.451 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.558 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 85.5 t60 -62.76 -37.67 87.56 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.089999999999999997 110.285 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.55 -44.36 97.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.373 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.82 -43.69 96.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.082 0.468 . . . . 0.0 110.077 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.49 ' NE2' ' CB ' ' C' ' 77' ' ' ALA . 5.6 tp-100 -60.75 -42.86 98.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.25 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.805 HG21 HG22 ' D' ' 356' ' ' THR . 19.4 m -56.04 -43.54 77.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.059999999999999998 110.159 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.59 -39.61 88.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.521 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.515 HD11 HG11 ' C' ' 7' ' ' VAL . 96.2 mt -68.09 -38.08 81.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.742 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.03 -39.75 82.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.059999999999999998 110.801 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.524 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.9 mm-40 -80.06 -14.49 58.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.57 -21.1 27.46 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -94.95 -23.27 17.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.774 0.321 . . . . 0.0 110.465 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.51 88.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.452 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' GLY . . . . . 0.454 ' H ' ' HD2' ' C' ' 67' ' ' LYS . . . -74.19 171.12 52.91 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -69.24 118.01 11.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 110.583 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.38 6.08 89.52 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.454 ' HD2' ' H ' ' C' ' 64' ' ' GLY . 47.2 tttm -68.87 133.49 48.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.62 0.248 . . . . 0.0 110.616 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 68' ' ' MET . . . . . 0.494 ' SD ' ' OE2' ' A' ' 5' ' ' GLU . 98.0 mmm -47.29 -89.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.609 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.494 ' NZ ' ' CG2' ' D' ' 316' ' ' THR . 17.7 tptp -123.97 -127.9 0.25 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.417 ' H ' ' CG ' ' C' ' 69' ' ' LYS . 34.1 m -90.86 -144.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.75 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 47.0 p -131.61 171.41 13.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.454 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.31 -45.12 92.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.661 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.401 ' CG1' HG21 ' C' ' 8' ' ' VAL . 54.3 t -62.57 -45.27 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 130.134 3.374 . . . . 0.0 110.568 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.76 -39.66 94.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.08 0.467 . . . . 0.11 110.957 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.22 -47.92 88.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.752 -0.658 . . . . 0.40000000000000002 110.274 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.42 ' NE2' ' NE2' ' C' ' 80' ' ' HIS . 58.8 t60 -58.17 -45.95 86.57 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.88 -0.328 . . . . 1.02 110.324 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.49 ' CB ' ' NE2' ' C' ' 55' ' ' GLN . . . -63.14 -40.67 98.25 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.908 0.385 . . . . 0.059999999999999998 110.439 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -62.42 -40.58 96.99 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.244 -0.434 . . . . 1.0900000000000001 110.237 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.542 ' O ' HG23 ' C' ' 83' ' ' THR . 37.8 tp -57.54 -46.24 84.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.501 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.42 ' NE2' ' NE2' ' C' ' 76' ' ' HIS . 87.3 m-70 -68.07 -46.86 69.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.301 -0.409 . . . . 0.080000000000000002 110.762 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.4 -45.81 92.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.814 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.34 -42.93 99.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.424 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.542 HG23 ' O ' ' C' ' 79' ' ' LEU . 24.3 p -64.07 -45.96 86.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.28 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -62.13 -50.11 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.22 -48.18 79.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.491 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.86 -43.97 97.77 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.148 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.51 80.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.941 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.416 ' HE ' ' HB3' ' C' ' 44' ' ' SER . 67.9 ttt-85 -58.43 -46.33 86.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.234 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.95 -44.41 94.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.908 0.385 . . . . 0.0 110.194 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.43 -42.49 95.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.152 0.501 . . . . 0.0 110.003 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.588 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.0 mt -60.84 -42.71 93.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.367 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.449 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 76.0 m -57.82 -45.8 85.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.138 0.494 . . . . 0.0 110.028 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.33 -43.52 97.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.486 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 76.5 mt -59.24 -43.13 92.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.15 -43.0 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.547 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -61.72 -39.67 92.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.701 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.1 mt -62.15 -42.02 98.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.944 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.0 m80 -60.01 -39.32 85.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.734 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' C' ' 103' ' ' ALA . 84.0 tt0 -61.62 -40.37 94.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.103 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.83 -38.56 91.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.197 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.37 -41.11 96.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.312 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.25 -9.28 39.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.408 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 103' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.531 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.531 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.215 -0.726 0 CA-C-O 121.907 0.861 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.77 143.06 36.75 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.26 38.49 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.866 -1.146 . . . . 0.0 109.564 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.11 149.22 28.57 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 152.28 19.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.993 -1.067 . . . . 0.0 108.376 178.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.87 144.28 19.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.4 m -96.62 136.59 36.93 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 122.165 0.983 . . . . 0.0 110.133 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.32 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.87 -4.33 19.32 Favored 'General case' 0 C--N 1.265 -3.078 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.56 141.79 85.64 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 119.637 -1.914 . . . . 0.0 110.577 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.45 -47.68 12.78 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 124.769 3.646 . . . . 0.0 114.153 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.558 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 98.7 m-20 -102.14 27.59 6.52 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 116.059 -2.256 . . . . 0.0 108.806 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.69 -125.84 26.31 Favored Glycine 0 N--CA 1.496 2.676 0 C-N-CA 117.653 -2.213 . . . . 0.0 109.604 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.748 HD11 HD23 ' D' ' 384' ' ' LEU . 3.8 tp -128.21 75.85 1.65 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.938 -1.33 . . . . 0.0 109.458 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -80.79 174.53 11.53 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 117.909 -1.517 . . . . 0.0 112.129 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.55 ' OG1' ' O3 ' ' D' ' 200' ' ' PO3 . 58.6 p -24.78 -67.67 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -177.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.427 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 8.4 ttt-85 -45.54 -65.41 0.66 Allowed Pre-proline 0 N--CA 1.493 1.712 0 C-N-CA 120.108 -0.637 . . . . 0.0 112.488 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.6 -32.21 58.72 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 C-N-CA 121.869 1.713 . . . . 0.0 111.465 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.491 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.87 86.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.239 -0.913 . . . . 0.0 109.486 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.514 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.97 -39.67 72.4 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -64.0 -39.37 93.97 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 117.946 -1.501 . . . . 0.0 109.507 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.59 -45.35 93.31 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.656 1.217 . . . . 0.0 108.756 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.7 t -62.67 -42.18 95.09 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.689 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.411 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 63.4 mttm -63.91 -40.29 96.14 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.21 -0.931 . . . . 0.0 109.783 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.527 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.73 -39.73 80.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.424 -0.798 . . . . 0.0 109.57 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.02 91.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.58 -1.325 . . . . 0.0 109.46 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.35 -16.11 42.89 Favored 'General case' 0 N--CA 1.512 2.64 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.0 -10.54 86.2 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 119.954 -1.716 . . . . 0.0 109.268 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.423 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.31 32.89 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.26 -1.729 . . . . 0.0 109.998 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.55 -30.13 59.62 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.285 -0.884 . . . . 0.0 112.366 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.71 158.57 10.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 119.841 -1.787 . . . . 0.0 112.8 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.97 130.29 35.4 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 102.814 -3.032 . . . . 0.0 102.814 171.243 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.75 136.61 60.3 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-O 122.208 1.004 . . . . 0.0 109.336 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.9 143.2 50.98 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 123.08 1.419 . . . . 0.0 110.02 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.6 t -108.12 129.99 61.41 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.703 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 173.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.9 m -127.52 119.63 26.45 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.835 -1.166 . . . . 0.0 108.871 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.61 122.63 39.29 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.578 -0.701 . . . . 0.0 109.891 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.74 38.9 24.21 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.945 -1.097 . . . . 0.0 112.747 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 10.91 83.6 Favored Glycine 0 N--CA 1.5 2.952 0 O-C-N 119.956 -1.715 . . . . 0.0 112.556 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.77 136.3 54.51 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.78 158.58 32.98 Favored 'General case' 0 C--N 1.276 -2.623 0 CA-C-O 123.762 1.744 . . . . 0.0 112.494 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.74 151.44 31.41 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 112.508 -2.133 . . . . 0.0 108.575 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.62 135.9 48.76 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.94 -6.78 47.55 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.715 -1.24 . . . . 0.0 110.734 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.53 13.07 31.24 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.694 -1.254 . . . . 0.0 109.425 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 94.8 p -133.11 104.09 6.34 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.183 0.992 . . . . 0.0 110.144 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.405 HD22 ' CE ' ' A' ' 9' ' ' MET . 53.8 tp -57.19 -37.89 72.85 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.007 178.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -58.91 -51.35 70.42 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.6 -1.313 . . . . 0.0 113.068 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.35 70.33 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 119.616 -1.928 . . . . 0.0 109.224 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.75 75.84 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.945 -1.102 . . . . 0.0 109.924 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.524 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.68 -10.41 52.1 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.616 -0.677 . . . . 0.0 109.928 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.4 p -89.83 -7.67 53.8 Favored 'General case' 0 N--CA 1.503 2.215 0 C-N-CA 118.084 -1.446 . . . . 0.0 110.922 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.41 159.23 15.34 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.166 -0.958 . . . . 0.0 110.134 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.65 104.85 2.96 Favored Glycine 0 N--CA 1.485 1.928 0 N-CA-C 106.956 -2.457 . . . . 0.0 106.956 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 355' ' ' LEU . . . . . 0.439 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.9 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.308 -1.212 0 O-C-N 120.724 -1.456 . . . . 0.0 107.398 -178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.805 HG22 HG21 ' C' ' 56' ' ' THR . 2.2 p -81.41 172.54 13.42 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.284 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.72 140.92 57.35 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.321 -0.952 . . . . 0.0 109.862 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.16 78.99 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 120.015 -1.088 . . . . 0.0 111.35 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.39 135.91 34.08 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.873 -1.369 . . . . 0.0 110.658 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.53 123.7 48.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.23 160.08 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 C-N-CA 117.408 -1.717 . . . . 0.0 110.604 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.1 m -108.86 128.4 54.88 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.504 -1.373 . . . . 0.0 107.611 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.93 121.4 60.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.62 147.23 50.71 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -179.543 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.36 47.23 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 118.535 -1.266 . . . . 0.0 109.803 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.8 6.43 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 118.517 -1.273 . . . . 0.0 108.008 178.18 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.32 40.15 Favored Glycine 0 C--N 1.296 -1.671 0 C-N-CA 118.035 -2.031 . . . . 0.0 110.379 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.57 82.6 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.385 -0.908 . . . . 0.0 112.195 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 115.822 -2.351 . . . . 0.0 108.556 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.43 -33.51 65.91 Favored 'General case' 0 N--CA 1.521 3.085 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.84 -45.66 27.62 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 119.537 -1.977 . . . . 0.0 110.98 -176.563 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.779 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.56 -40.66 97.56 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 178.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.54 77.46 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 117.528 -1.669 . . . . 0.0 110.067 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.2 t -66.77 -42.3 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 CA-C-O 122.221 1.01 . . . . 0.0 109.264 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.82 -47.94 76.3 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.079 0.942 . . . . 0.0 108.78 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.779 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.8 -38.28 76.59 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.731 -178.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.3 mt -75.68 -28.54 58.72 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.373 -1.454 . . . . 0.0 110.9 -174.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.26 62.9 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.527 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.23 -45.28 84.03 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.076 -1.05 . . . . 0.0 110.501 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.28 -37.43 85.48 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.844 -1.16 . . . . 0.0 111.568 -177.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.82 61.61 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.124 -0.985 . . . . 0.0 110.273 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.83 -32.31 46.14 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.475 -0.765 . . . . 0.0 111.323 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.748 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.11 125.5 12.38 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 124.383 2.039 . . . . 0.0 112.872 178.666 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.3 mm-40 . . . . . 0 C--N 1.278 -2.513 0 CA-C-N 111.061 -2.79 . . . . 0.0 110.127 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.592 ' O3 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.513 ' OE2' ' CD1' ' A' ' 4' ' ' LEU . 81.3 tt0 -72.35 155.32 40.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.524 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 6' ' ' GLU . 81.4 tt0 -60.07 -44.49 94.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.492 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 8' ' ' VAL . 90.3 mt -37.11 -32.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' GLU . 79.5 mm-40 -64.77 -44.87 88.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.958 0.409 . . . . 1.9399999999999999 110.306 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.1 mt-10 -67.19 -34.99 78.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.262 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.09 -42.15 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.375 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 4' ' ' LEU . 99.0 t -61.05 -44.22 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.974 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.412 ' CE ' HD22 ' D' ' 347' ' ' LEU . 88.5 mtp -58.42 -41.25 84.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.491 -0.559 . . . . 0.17999999999999999 109.491 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -40.99 98.57 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.458 HD21 ' HB ' ' A' ' 54' ' ' VAL . 32.3 mt -63.35 -42.93 98.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.22 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.13 -44.48 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.20000000000000001 109.683 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.508 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.3 mt -63.6 -44.32 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.047 -0.524 . . . . 0.01 109.972 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.46 -46.32 89.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.842 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -60.73 -44.93 96.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.957 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.52 -43.02 99.62 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.491 ' O ' ' OG ' ' A' ' 20' ' ' SER . 27.4 mm100 -63.49 -43.77 96.3 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.24 -49.32 78.3 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.829 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.45 -47.18 87.22 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.1 p -55.6 -44.1 76.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.13 -41.77 98.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.664 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.39 -49.95 74.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.403 0.621 . . . . 0.0 109.341 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.05 -40.74 90.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.557 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.33 94.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.46 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.676 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HB2' HG23 ' A' ' 91' ' ' ILE . 53.4 tp -61.72 -45.02 95.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.439 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.86 -42.42 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.67 -41.55 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.807 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.12 96.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.681 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.0 -28.76 69.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.186 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -80.29 -4.16 52.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.46 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.23 14.54 68.71 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.44 78.96 2.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.303 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -64.74 -34.55 78.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.67 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.41 74.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.491 . . . . 0.0 110.786 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.13 80.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.98 81.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.54 -42.19 98.46 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.62 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.56 99.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.789 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.3 mmm -65.77 -40.17 91.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.573 ' HE1' HG23 ' A' ' 92' ' ' THR . 91.0 mtp -63.43 -41.31 98.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.59 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.69 -44.56 96.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.981 0.42 . . . . 0.0 110.611 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.05 -41.66 99.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.222 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 41' ' ' MET . 77.9 p -60.92 -46.2 91.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.56 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.551 ' NH2' HH12 ' A' ' 88' ' ' ARG . 62.9 ttm-85 -60.14 -42.9 95.83 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.345 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 62.0 mtt -61.68 -43.01 99.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.269 0.557 . . . . 0.0 110.605 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.83 92.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.2 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' A' ' 18' ' ' ALA . 96.4 mt -65.32 -40.45 93.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.665 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.92 -42.08 97.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.245 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.05 -40.76 91.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.18 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.79 78.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.484 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -60.95 -38.85 87.3 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.089999999999999997 110.322 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.5 mt -59.98 -44.61 94.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.458 ' HB ' HD21 ' A' ' 11' ' ' LEU . 78.7 t -65.67 -42.77 93.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.069 0.461 . . . . 0.0 109.994 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.456 ' OE1' HD13 ' A' ' 11' ' ' LEU . 47.4 tp60 -59.95 -45.22 93.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.251 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -54.88 -43.97 73.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.059999999999999998 110.018 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -60.32 -39.63 87.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.497 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.82 -38.76 89.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.603 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.7 mt -72.53 -36.86 55.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.097 -0.501 . . . . 0.050000000000000003 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -80.52 -10.69 59.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.34 178.79 26.49 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 54.8 p-10 -65.21 141.4 58.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.604 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.59 143.77 54.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.71 170.51 35.93 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.4 118.84 8.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.887 0.375 . . . . 0.0 110.687 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.89 3.22 89.23 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -99.93 138.9 36.37 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.707 0.289 . . . . 0.0 110.436 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.8 mtt -94.9 -93.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -108.77 -29.11 8.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -109.05 131.59 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.664 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 75' ' ' VAL . 5.1 p -122.31 155.18 36.49 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.64 -45.29 85.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.603 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.565 HG13 HG21 ' A' ' 8' ' ' VAL . 74.9 t -64.06 -47.66 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.906 0.384 . . . . 0.0 110.588 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.51 -41.3 98.52 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.974 0.416 . . . . 0.11 110.874 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 71' ' ' SER . 54.6 t -59.81 -48.18 88.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.761 -0.654 . . . . 0.38 110.19 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.44 ' ND1' ' CG2' ' C' ' 70' ' ' VAL . 1.4 t60 -59.26 -45.82 90.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.835 0.35 . . . . 0.0 110.354 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.63 95.99 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.524 -0.307 . . . . 0.059999999999999998 110.639 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -62.64 -40.58 97.47 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.202 -0.454 . . . . 1.0900000000000001 110.191 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 83' ' ' THR . 47.6 tp -56.82 -45.93 82.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.434 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.614 ' CE1' ' O3 ' ' D' ' 200' ' ' PO3 . 70.0 m-70 -67.03 -46.25 75.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.34 -0.391 . . . . 0.080000000000000002 110.776 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.9 -45.83 92.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.766 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.16 -43.55 98.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.15 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.8 p -63.46 -46.67 85.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.058 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.7 t -62.39 -48.81 78.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.445 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.57 -48.82 78.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.54 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.17 -44.47 97.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.058 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.24 80.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.853 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.551 HH12 ' NH2' ' A' ' 45' ' ' ARG . 76.5 ttt-85 -59.09 -45.61 90.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.173 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.4 -43.97 96.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.086 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.94 -42.21 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.17 0.509 . . . . 0.0 109.931 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.664 HD12 ' HB1' ' A' ' 22' ' ' ALA . 75.6 mt -60.14 -42.64 90.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.573 HG23 ' HE1' ' A' ' 41' ' ' MET . 67.8 m -56.94 -45.83 82.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.501 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.5 mt-10 -63.36 -43.25 98.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.578 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.541 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.6 mt -59.93 -43.16 95.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.59 -42.76 95.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.51 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -61.45 -39.79 92.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.087 0.47 . . . . 0.0 109.769 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 97' ' ' LEU . 38.0 mt -62.26 -42.17 99.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.879 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.541 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.4 m80 -59.7 -39.58 85.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.25 -39.36 92.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.152 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.93 -37.96 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.185 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 103' ' ' ALA . 41.6 mt -63.68 -40.68 97.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.463 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 58.81 -72.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.522 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.591 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.524 ' OE2' ' CD1' ' B' ' 4' ' ' LEU . 80.4 tt0 -72.27 155.25 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' B' ' 6' ' ' GLU . 80.5 tt0 -60.0 -44.32 94.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.435 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.57 ' O ' HG23 ' B' ' 8' ' ' VAL . 90.4 mt -37.21 -32.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.474 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 3' ' ' GLU . 79.6 mm-40 -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 1.9399999999999999 110.362 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.0 mt-10 -66.8 -35.38 79.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.218 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.76 -42.4 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.358 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 4' ' ' LEU . 99.4 t -60.87 -44.28 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.881 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.42 -41.32 84.75 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.588 -0.523 . . . . 0.17999999999999999 109.588 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -41.16 98.68 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.459 HD13 ' OE1' ' B' ' 55' ' ' GLN . 32.7 mt -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.406 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.15 -44.24 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.28999999999999998 109.688 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.81 -44.51 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.902 -0.59 . . . . 0.02 109.97 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.25 -46.45 88.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.79 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -60.55 -44.92 95.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.09 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.67 -43.11 99.46 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.121 -1.191 . . . . 0.0 110.121 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' B' ' 20' ' ' SER . 91.5 mm-40 -63.14 -44.11 96.46 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.68 -49.64 76.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.885 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.29 -46.92 88.15 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.6 p -55.78 -43.89 77.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.26 -42.01 98.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.733 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.34 -50.06 74.16 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -59.79 -40.73 89.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.725 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.69 95.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.73 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.63 89.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.68 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.44 ' HB2' HG23 ' B' ' 91' ' ' ILE . 55.9 tp -61.7 -44.96 95.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.346 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -55.88 -42.44 75.94 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.65 -41.66 99.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.918 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.41 95.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.649 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.71 -29.01 69.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.013 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.25 -4.1 51.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.356 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.24 14.16 69.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.09 78.93 2.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.773 0.32 . . . . 0.0 110.337 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.76 -34.6 78.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.613 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -49.34 75.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.008 0.433 . . . . 0.0 110.756 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.3 80.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.17 -47.91 82.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.73 -42.5 99.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.586 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.28 99.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.729 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 91.4 mmm -66.21 -40.01 90.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.569 ' HE1' HG23 ' B' ' 92' ' ' THR . 91.0 mtp -63.24 -41.46 99.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.559 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.96 -44.3 97.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.499 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.32 -40.95 98.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.316 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.6 p -61.49 -46.21 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.461 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.55 ' NH2' HH12 ' B' ' 88' ' ' ARG . 62.7 ttm-85 -60.39 -42.66 96.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.257 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 62.2 mtt -61.63 -43.28 99.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.309 0.576 . . . . 0.0 110.655 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.62 92.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.21 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' B' ' 18' ' ' ALA . 95.8 mt -65.49 -40.05 92.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.749 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.15 -42.27 98.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.37 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.73 -40.88 92.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.194 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.86 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.477 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -60.86 -38.72 86.54 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.089999999999999997 110.275 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 53' ' ' LEU . 36.1 mt -60.25 -44.58 95.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.3 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.456 ' HB ' HD21 ' B' ' 11' ' ' LEU . 76.0 t -65.49 -43.04 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.038 0.446 . . . . 0.0 110.016 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.459 ' OE1' HD13 ' B' ' 11' ' ' LEU . 47.2 tp60 -59.65 -45.84 90.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.277 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -54.27 -44.19 71.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.059999999999999998 109.96 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.56 -39.79 89.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.552 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.3 mt -65.25 -38.8 91.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.685 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 77.3 mt -72.43 -37.3 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.040000000000000001 110.787 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -80.42 -10.17 59.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.41 178.51 27.34 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.483 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 55.6 p-10 -65.09 141.24 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.545 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.13 144.16 55.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.09 170.72 36.97 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.54 119.01 8.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.337 . . . . 0.0 110.616 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.06 2.87 89.28 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -99.5 139.09 35.66 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.642 0.258 . . . . 0.0 110.551 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mtt -95.01 -93.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.695 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -108.26 -29.13 9.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.859 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 63.7 t -109.7 131.02 61.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.6 ' O ' HG23 ' B' ' 75' ' ' VAL . 10.0 p -121.57 157.39 30.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.601 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.29 -45.12 94.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.554 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.557 HG13 HG21 ' B' ' 8' ' ' VAL . 77.0 t -62.98 -47.07 94.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.561 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.02 -40.85 97.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.062 0.458 . . . . 0.11 110.963 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 71' ' ' SER . 56.0 t -59.96 -47.8 90.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.77 -0.65 . . . . 0.38 110.275 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.472 ' NE2' ' NE2' ' B' ' 80' ' ' HIS . 48.9 t60 -59.28 -46.24 89.07 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.9 -0.32 . . . . 1.1100000000000001 110.265 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.47 96.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.841 0.353 . . . . 0.059999999999999998 110.42 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.93 -40.68 98.35 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.147 -0.478 . . . . 1.0900000000000001 110.29 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 83' ' ' THR . 48.2 tp -56.83 -45.94 82.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.472 ' NE2' ' NE2' ' B' ' 76' ' ' HIS . 71.6 m-70 -67.05 -46.34 74.65 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.689 -0.404 . . . . 0.080000000000000002 110.726 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.68 -46.08 91.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.863 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.89 -43.47 98.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.293 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.476 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.7 p -63.6 -46.49 85.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.187 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 40.9 t -62.34 -48.64 78.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.637 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.71 -48.49 79.43 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.462 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.52 -44.28 97.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.146 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.25 80.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.927 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.55 HH12 ' NH2' ' B' ' 45' ' ' ARG . 76.3 ttt-85 -58.99 -45.53 90.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.276 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 98.0 mt-10 -60.54 -43.98 96.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.19 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.84 -41.92 97.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.152 0.501 . . . . 0.0 110.086 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' B' ' 22' ' ' ALA . 73.6 mt -60.56 -42.48 91.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.247 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.569 HG23 ' HE1' ' B' ' 41' ' ' MET . 69.7 m -56.94 -46.12 82.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.08 0.467 . . . . 0.0 109.916 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.466 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -62.98 -43.55 98.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.442 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.3 mt -59.73 -43.47 94.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.28 -42.97 95.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.545 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.16 -40.04 92.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.7 mt -62.17 -41.81 98.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.867 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.7 m80 -59.91 -39.79 86.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.811 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.74 -39.68 92.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.133 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.05 -37.63 88.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.188 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' B' ' 103' ' ' ALA . 41.3 mt -63.9 -40.51 96.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.414 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 58.61 -72.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.529 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' B' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.578 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.523 ' OE2' ' CD1' ' C' ' 4' ' ' LEU . 81.3 tt0 -72.25 154.8 40.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' C' ' 6' ' ' GLU . 81.7 tt0 -59.59 -44.25 93.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.358 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.585 ' O ' HG23 ' C' ' 8' ' ' VAL . 89.5 mt -37.41 -32.19 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.392 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 5' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' C' ' 3' ' ' GLU . 79.6 mm-40 -64.84 -44.92 88.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.829 0.347 . . . . 1.9399999999999999 110.349 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.5 mt-10 -66.97 -35.25 79.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.336 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.7 -42.43 95.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.585 HG23 ' O ' ' C' ' 4' ' ' LEU . 98.6 t -61.07 -44.05 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.994 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mtp -58.47 -41.51 85.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.603 -0.517 . . . . 0.17999999999999999 109.603 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.52 98.97 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.46 HD21 ' HB ' ' C' ' 54' ' ' VAL . 33.5 mt -62.76 -43.45 98.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.905 0.383 . . . . 0.0 110.43 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.71 -44.38 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.29999999999999999 109.711 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.71 -44.19 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.016 -0.538 . . . . 0.02 110.045 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.48 -46.49 88.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.838 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -60.66 -44.82 96.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.153 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.57 -43.28 99.24 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.039 -1.225 . . . . 0.0 110.039 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.504 ' O ' ' OG ' ' C' ' 20' ' ' SER . 91.2 mm-40 -63.23 -44.13 96.11 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.494 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.44 -50.08 74.99 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.24 -46.85 88.35 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.5 p -56.08 -43.63 78.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.41 -41.66 98.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.65 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.662 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.59 -50.02 74.48 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.425 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.3 m-85 -59.9 -41.09 90.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.538 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.67 94.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.778 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.1 89.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.594 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.436 ' HB2' HG23 ' C' ' 91' ' ' ILE . 55.9 tp -61.33 -45.11 95.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.79 -42.38 75.49 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -62.92 -41.3 99.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.89 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.21 95.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.756 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.32 -28.64 69.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.049 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -80.25 -4.09 51.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.448 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.22 14.15 69.62 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.01 78.7 2.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.741 0.305 . . . . 0.0 110.221 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.5 -34.99 79.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.538 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -49.18 76.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.041 0.448 . . . . 0.0 110.748 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.97 79.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.6 82.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.496 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.08 -42.17 98.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.571 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.91 99.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.747 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 91.7 mmm -65.53 -40.79 93.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.556 ' HE1' HG23 ' C' ' 92' ' ' THR . 91.1 mtp -62.61 -41.75 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.662 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.73 -44.5 96.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.454 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.98 -41.24 99.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.7 p -61.17 -46.45 90.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.51 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.532 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.7 ttm-85 -60.29 -42.4 95.41 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.324 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.91 -43.05 99.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.354 0.597 . . . . 0.0 110.516 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.09 92.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.354 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.494 HD21 ' CB ' ' C' ' 18' ' ' ALA . 96.1 mt -65.16 -40.52 94.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.1 -42.0 97.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.381 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.12 -40.46 90.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.09 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.63 -46.22 76.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.432 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.586 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 63.3 t-80 -60.72 -38.53 85.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 0.089999999999999997 110.311 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.1 mt -60.19 -44.52 95.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.46 ' HB ' HD21 ' C' ' 11' ' ' LEU . 75.2 t -65.47 -42.91 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.027 0.441 . . . . 0.0 109.97 178.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' C' ' 11' ' ' LEU . 47.0 tp60 -60.23 -45.2 94.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.911 HG21 HG22 ' D' ' 356' ' ' THR . 18.1 m -54.68 -43.92 72.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.059999999999999998 110.118 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -60.73 -39.61 89.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.517 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.47 -38.86 91.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.3 mt -72.17 -37.29 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.059999999999999998 110.822 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.532 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -80.58 -10.29 59.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.41 178.59 27.17 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 55.6 p-10 -65.2 141.91 58.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.869 0.366 . . . . 0.0 110.463 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.89 144.13 54.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.05 170.5 37.24 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.33 118.84 8.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.588 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.02 3.03 89.36 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -99.34 139.43 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.576 0.227 . . . . 0.0 110.578 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 65.8 mtt -95.55 -93.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.534 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -108.7 -29.14 8.85 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.44 ' CG2' ' ND1' ' A' ' 76' ' ' HIS . 61.8 t -109.42 130.67 62.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.688 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.601 ' O ' HG23 ' C' ' 75' ' ' VAL . 9.5 p -120.25 159.51 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.532 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.76 -44.1 97.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.663 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.558 HG13 HG21 ' C' ' 8' ' ' VAL . 73.1 t -64.63 -47.54 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 130.182 3.393 . . . . 0.0 110.612 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.9 -40.64 91.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.2 -0.454 . . . . 0.11 110.997 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.601 HG23 ' O ' ' C' ' 71' ' ' SER . 55.8 t -60.32 -48.02 89.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.73 -0.668 . . . . 0.40000000000000002 110.22 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.454 ' NE2' ' NE2' ' C' ' 80' ' ' HIS . 48.4 t60 -59.41 -46.39 88.83 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.938 -0.305 . . . . 1.02 110.275 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.51 96.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.93 0.395 . . . . 0.059999999999999998 110.434 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' GLN . . . . . 0.59 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 58.1 tt0 -62.77 -41.11 99.08 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0900000000000001 110.265 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.464 ' O ' HG23 ' C' ' 83' ' ' THR . 47.6 tp -56.33 -46.19 80.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.529 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.454 ' NE2' ' NE2' ' C' ' 76' ' ' HIS . 71.8 m-70 -66.97 -46.38 74.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.304 -0.407 . . . . 0.080000000000000002 110.802 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.53 -46.42 90.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.836 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.51 -43.38 98.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.395 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.464 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -63.74 -46.4 85.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.172 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.6 t -62.56 -48.35 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.94 -48.68 79.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 110.515 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.25 -44.35 97.4 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.173 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.06 -48.21 80.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.009 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.532 HH12 ' NH2' ' C' ' 45' ' ' ARG . 76.4 ttt-85 -59.2 -45.36 91.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.253 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.4 -44.22 95.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.936 0.398 . . . . 0.0 110.141 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.77 -42.15 97.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.123 0.487 . . . . 0.0 109.976 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.662 HD12 ' HB1' ' C' ' 22' ' ' ALA . 74.7 mt -60.3 -42.52 90.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.556 HG23 ' HE1' ' C' ' 41' ' ' MET . 68.8 m -57.03 -45.84 82.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.097 0.475 . . . . 0.0 109.993 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.34 -43.14 98.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.534 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.55 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.1 mt -59.91 -43.2 95.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.6 -43.04 96.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.528 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.95 -40.11 92.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.98 -42.31 98.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.899 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.55 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.6 m80 -59.48 -40.16 86.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.704 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.68 -39.33 91.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.142 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.98 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.221 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' C' ' 103' ' ' ALA . 42.0 mt -63.6 -40.58 97.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 58.83 -72.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.455 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 103' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' C' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.223 -0.329 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.536 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.929 0.871 . . . . 0.0 108.893 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.84 143.09 36.62 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.35 38.59 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.946 -1.096 . . . . 0.0 109.581 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.17 149.16 28.46 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.29 18.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.051 -1.031 . . . . 0.0 108.408 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.82 144.37 19.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.55 37.09 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 122.143 0.973 . . . . 0.0 110.119 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.38 25.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.9 -4.3 19.31 Favored 'General case' 0 C--N 1.266 -3.044 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.78 85.68 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 119.774 -1.829 . . . . 0.0 110.597 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.44 -47.74 12.66 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 124.71 3.607 . . . . 0.0 114.142 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.586 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 96.4 m-20 -102.1 27.56 6.53 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 116.076 -2.25 . . . . 0.0 108.81 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.36 -124.16 24.42 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 117.699 -2.191 . . . . 0.0 109.58 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.717 HD11 HD23 ' D' ' 384' ' ' LEU . 3.0 tp -129.71 81.24 2.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.939 -1.33 . . . . 0.0 109.568 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -85.95 176.61 7.96 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 117.933 -1.507 . . . . 0.0 112.09 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.533 HG23 ' O1 ' ' D' ' 200' ' ' PO3 . 67.0 p -25.68 -62.78 0.07 Allowed 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -176.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -51.4 -65.0 1.07 Allowed Pre-proline 0 N--CA 1.494 1.748 0 C-N-CA 120.096 -0.642 . . . . 0.0 112.514 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.61 -32.19 58.66 Favored 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 121.9 1.733 . . . . 0.0 111.495 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.508 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.84 86.75 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.16 -0.963 . . . . 0.0 109.524 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.508 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.92 -39.74 72.51 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.91 -39.48 94.26 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 118.003 -1.479 . . . . 0.0 109.459 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.68 -45.33 93.28 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 122.609 1.195 . . . . 0.0 108.66 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.61 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.9 t -62.61 -42.27 95.31 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.733 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.421 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 96.5 mttt -63.79 -40.35 96.44 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.794 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.58 79.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.446 -0.784 . . . . 0.0 109.586 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.0 91.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.582 -1.324 . . . . 0.0 109.427 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 327' ' ' LYS . . . . . 0.61 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.9 mttp -61.33 -16.25 44.02 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.293 -0.879 . . . . 0.0 113.31 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.62 86.06 Favored Glycine 0 N--CA 1.48 1.58 0 O-C-N 119.873 -1.767 . . . . 0.0 109.301 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.34 32.82 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.321 -1.694 . . . . 0.0 110.077 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.55 -30.12 59.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.243 -0.91 . . . . 0.0 112.361 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.65 158.57 9.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 119.819 -1.8 . . . . 0.0 112.857 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.37 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 102.861 -3.014 . . . . 0.0 102.861 171.194 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.62 60.27 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 CA-C-O 122.194 0.997 . . . . 0.0 109.316 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.4 m -124.94 143.12 51.04 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-O 123.125 1.44 . . . . 0.0 109.968 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.4 t -108.11 129.95 61.47 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.697 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 173.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.6 m -127.45 119.62 26.53 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.914 -1.116 . . . . 0.0 108.939 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.65 39.38 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.542 -0.723 . . . . 0.0 109.846 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.73 38.93 24.23 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.917 -1.114 . . . . 0.0 112.779 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 10.96 83.59 Favored Glycine 0 N--CA 1.501 2.979 0 O-C-N 119.982 -1.699 . . . . 0.0 112.63 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.85 136.18 54.58 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.74 158.51 33.09 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.743 1.735 . . . . 0.0 112.44 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.42 31.44 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 112.484 -2.143 . . . . 0.0 108.572 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.2 t -70.58 135.94 48.87 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 173.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.0 -6.71 47.25 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.681 -1.262 . . . . 0.0 110.766 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.55 13.04 31.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.698 -1.251 . . . . 0.0 109.396 -177.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 97.5 p -133.16 104.17 6.37 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.25 1.024 . . . . 0.0 110.148 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.412 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.0 tp -57.31 -37.78 73.01 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.943 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -58.88 -51.42 70.1 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.561 -1.337 . . . . 0.0 113.099 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.0 -32.41 70.58 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 119.561 -1.962 . . . . 0.0 109.272 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.79 -33.77 75.88 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 118.995 -1.082 . . . . 0.0 109.916 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.532 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.71 -10.36 51.79 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.607 -0.683 . . . . 0.0 109.942 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 37.6 p -89.79 -7.81 53.56 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 118.174 -1.41 . . . . 0.0 110.854 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.34 159.26 15.34 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.185 -0.947 . . . . 0.0 110.202 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.63 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 106.939 -2.464 . . . . 0.0 106.939 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 87.5 mt -119.55 47.39 1.72 Allowed 'General case' 0 C--N 1.309 -1.165 0 O-C-N 120.69 -1.477 . . . . 0.0 107.426 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.911 HG22 HG21 ' C' ' 56' ' ' THR . 4.6 p -81.45 172.57 13.36 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 118.843 -1.143 . . . . 0.0 109.22 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -60.74 140.97 57.37 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.835 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.19 79.11 Favored Glycine 0 N--CA 1.5 2.966 0 C-N-CA 120.069 -1.063 . . . . 0.0 111.38 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.45 136.0 34.02 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.959 -1.318 . . . . 0.0 110.629 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.8 t -96.59 123.68 48.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.15 160.08 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.271 0 C-N-CA 117.451 -1.7 . . . . 0.0 110.647 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.93 128.35 54.85 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 120.562 -1.336 . . . . 0.0 107.567 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.83 121.45 60.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.421 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.23 50.71 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.54 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.41 47.11 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 118.506 -1.278 . . . . 0.0 109.778 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.82 6.43 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 118.524 -1.27 . . . . 0.0 108.049 178.233 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.28 40.09 Favored Glycine 0 C--N 1.296 -1.654 0 C-N-CA 117.994 -2.051 . . . . 0.0 110.355 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.39 -40.62 82.86 Favored 'General case' 0 C--N 1.275 -2.634 0 CA-C-N 114.388 -0.906 . . . . 0.0 112.195 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.08 36.77 3.56 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 115.883 -2.327 . . . . 0.0 108.591 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.48 65.75 Favored 'General case' 0 N--CA 1.521 3.1 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -174.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.471 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.93 -45.66 27.03 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 119.481 -2.012 . . . . 0.0 110.953 -176.56 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.782 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.71 97.75 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.42 77.93 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 117.422 -1.711 . . . . 0.0 110.043 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.3 t -66.87 -42.22 88.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-O 122.204 1.002 . . . . 0.0 109.263 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.82 -47.94 76.3 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-O 122.109 0.956 . . . . 0.0 108.775 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.782 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.76 -38.36 76.73 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.754 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' D' ' 377' ' ' LEU . 81.0 mt -75.54 -28.65 59.15 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.283 -1.51 . . . . 0.0 110.897 -174.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.49 70.99 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.413 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.16 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.15 84.53 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 119.009 -1.076 . . . . 0.0 110.546 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.37 -37.44 85.71 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.94 -1.1 . . . . 0.0 111.534 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.73 61.65 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.093 -1.004 . . . . 0.0 110.298 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.97 -32.28 45.27 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.454 -0.779 . . . . 0.0 111.282 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.717 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.05 125.52 12.32 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 124.367 2.032 . . . . 0.0 112.842 178.677 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.4 tt0 . . . . . 0 C--N 1.277 -2.562 0 CA-C-N 111.14 -2.754 . . . . 0.0 110.089 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.614 ' O3 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -61.32 -38.1 85.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.51 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 6' ' ' GLU . 49.8 tp10 -58.57 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.51 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 8' ' ' VAL . 57.2 mt -38.38 -37.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.486 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -63.38 -48.79 76.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.905 0.383 . . . . 1.9399999999999999 110.256 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.7 tt0 -68.0 -36.39 79.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.281 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.458 HG11 HD11 ' A' ' 58' ' ' LEU . 72.0 t -63.73 -43.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 4' ' ' LEU . 87.8 t -60.77 -44.84 98.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.993 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.22 -41.29 88.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.531 -0.544 . . . . 0.17999999999999999 109.531 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.1 -42.48 96.56 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 11' ' ' LEU . 34.4 mt -63.38 -42.89 98.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.156 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.12 -44.4 99.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.537 . . . . 0.20000000000000001 109.71 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' HD2' ' D' ' 324' ' ' LYS . 86.8 mt -63.82 -44.17 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.039 -0.528 . . . . 0.01 109.916 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.501 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 47.2 t-20 -60.34 -45.98 91.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.859 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p -61.15 -42.97 99.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.95 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.551 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.48 -43.65 97.85 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -61.94 -42.96 99.7 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.4 -49.12 78.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.891 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.88 -46.05 92.16 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -55.81 -44.25 77.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.97 -42.0 98.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.693 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.556 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.57 -48.16 80.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.397 0.618 . . . . 0.0 109.336 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -60.21 -41.76 93.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.64 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.65 95.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.768 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -43.16 88.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.648 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.4 -45.52 93.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.465 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -55.2 -43.25 74.23 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.5 mt-30 -61.55 -41.51 97.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.773 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.93 93.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.697 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.55 -28.98 69.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.109 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.32 -4.75 54.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.471 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.41 15.03 67.2 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -98.68 78.68 2.37 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.244 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -64.82 -34.73 79.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.678 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.35 79.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.069 0.461 . . . . 0.0 110.729 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -65.17 -35.21 80.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.321 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.69 82.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.62 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.71 -42.51 99.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.586 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.76 98.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.79 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.79 -42.11 91.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.482 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.581 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.8 mtm -63.77 -40.3 96.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.63 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.65 -44.77 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.978 0.418 . . . . 0.0 110.447 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -64.06 -40.87 97.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.167 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.4 t -61.21 -45.95 92.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.576 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -60.25 -42.04 94.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.38 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -61.95 -41.57 98.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.214 0.531 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.41 99.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.22 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.83 -39.76 91.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.642 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -60.92 -41.71 96.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.283 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.25 -39.72 93.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.215 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.29 -43.41 81.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.448 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -63.23 -37.94 89.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.089999999999999997 110.407 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.1 mt -61.18 -44.46 97.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.368 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.2 -43.58 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 0.0 109.972 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -59.95 -42.81 94.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.273 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.582 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 82.2 m -57.49 -42.6 83.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.059999999999999998 110.006 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.68 -39.29 93.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.531 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.458 HD11 HG11 ' A' ' 7' ' ' VAL . 96.2 mt -62.96 -28.43 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.459 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 96.3 mt -86.0 -30.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.099 -0.5 . . . . 0.050000000000000003 110.858 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -81.35 -10.88 59.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.98 -163.71 0.19 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -84.37 111.73 19.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.64 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.18 142.43 50.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.473 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.68 149.75 50.84 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.32 130.11 41.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.755 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.42 -15.42 61.2 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -78.82 139.41 38.37 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.703 0.287 . . . . 0.0 110.481 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.4 mtp -87.43 -73.81 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.648 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' NZ ' ' OE2' ' B' ' 5' ' ' GLU . 68.6 mmtt -95.08 -112.98 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.881 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 71' ' ' SER . 32.8 m -93.34 -143.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.657 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.513 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.3 p -132.72 167.35 20.28 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.2 -43.75 83.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.645 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.534 ' CG1' HG21 ' A' ' 8' ' ' VAL . 77.8 t -62.83 -45.08 99.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.882 0.372 . . . . 0.0 110.577 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.97 -38.85 90.08 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.009 0.433 . . . . 0.11 110.931 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 71' ' ' SER . 64.7 t -58.54 -47.38 88.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.762 -0.654 . . . . 0.38 110.182 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -57.36 -44.23 84.21 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.357 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.81 98.73 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.483 -0.326 . . . . 0.059999999999999998 110.602 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.457 ' OE1' ' NE2' ' A' ' 55' ' ' GLN . 28.5 mm100 -61.28 -41.04 96.28 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.212 -0.449 . . . . 1.0900000000000001 110.16 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 83' ' ' THR . 47.4 tp -58.26 -44.4 88.36 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.447 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.674 ' CE1' ' O1 ' ' D' ' 200' ' ' PO3 . 53.5 m170 -68.1 -49.09 63.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.323 -0.398 . . . . 0.080000000000000002 110.738 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.65 -45.65 93.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.788 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.43 -43.3 99.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.165 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.3 p -64.26 -46.73 82.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.111 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -62.65 -49.95 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.472 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.43 -48.55 78.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.486 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.47 -44.79 96.48 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.066 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.08 82.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.825 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -58.1 -46.32 85.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.101 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -60.78 -43.56 97.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.012 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.39 -42.62 96.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.163 0.506 . . . . 0.0 109.882 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.556 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.2 mt -60.42 -42.32 90.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.289 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.9 m -57.89 -45.92 85.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.884 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.509 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.6 mt-10 -63.22 -42.64 99.29 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.27 -42.45 95.4 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.581 HD12 ' SD ' ' A' ' 41' ' ' MET . 84.7 mt -60.96 -43.04 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.501 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.27 -38.49 89.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.118 0.485 . . . . 0.0 109.712 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 97' ' ' LEU . 41.2 mt -62.22 -41.99 98.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.872 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -60.65 -40.05 90.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 102' ' ' LYS . 84.6 tt0 -63.36 -38.04 89.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.141 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -65.06 -40.39 94.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.188 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.7 -42.09 98.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.418 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.4 mttt -91.33 145.06 24.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.818 -1.087 . . . . 0.0 110.502 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -61.31 -38.15 85.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.603 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' B' ' 6' ' ' GLU . 50.1 tp10 -58.62 -78.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.491 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.728 ' O ' HG23 ' B' ' 8' ' ' VAL . 57.8 mt -38.58 -37.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.544 ' OE2' ' NZ ' ' A' ' 69' ' ' LYS . 51.0 tp10 -63.32 -48.83 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.893 0.378 . . . . 1.9399999999999999 110.402 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.1 tt0 -67.87 -36.33 80.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.219 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.479 HG11 HD11 ' B' ' 58' ' ' LEU . 73.2 t -63.89 -43.08 97.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.436 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.728 HG23 ' O ' ' B' ' 4' ' ' LEU . 88.2 t -60.8 -44.87 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.884 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.5 mtp -59.21 -41.35 88.4 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.563 -0.532 . . . . 0.17999999999999999 109.563 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.96 -42.64 96.74 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 11' ' ' LEU . 34.3 mt -63.38 -42.81 98.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 0.0 110.331 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.28 -44.2 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.28999999999999998 109.685 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.86 -44.24 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.02 109.941 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.49 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 47.9 t-20 -60.32 -45.93 91.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.852 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -61.05 -42.96 99.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.163 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.48 -43.29 98.38 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.18 -43.02 99.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.63 80.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.84 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.21 -45.67 93.6 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.6 m -56.21 -44.16 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.1 -41.74 98.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.737 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.84 -48.2 80.47 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.462 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.2 m-85 -60.09 -42.04 93.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.63 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.57 93.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.797 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.92 89.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.629 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.79 -45.4 94.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.379 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -55.54 -43.15 75.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.439 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.6 mt-30 -61.52 -40.89 96.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.852 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.64 96.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.675 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.87 -29.03 69.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.052 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.38 -4.8 54.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.65 14.94 66.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.55 78.79 2.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.76 0.314 . . . . 0.0 110.374 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -64.97 -34.74 79.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.606 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.45 79.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.111 0.481 . . . . 0.0 110.768 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.439 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.22 -34.82 79.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.422 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.73 81.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.529 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.51 -42.73 99.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.583 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.0 98.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.651 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.73 -42.27 91.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.589 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.5 mtm -63.64 -40.44 96.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.555 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.47 -44.77 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.923 0.392 . . . . 0.0 110.458 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.01 -40.73 97.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.297 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -61.65 -45.59 93.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.44 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -60.41 -41.95 94.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.248 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.92 -41.88 98.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.277 0.561 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.23 99.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.115 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 48' ' ' LEU . 91.0 mt -65.95 -39.67 90.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.728 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.01 -41.6 96.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.335 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.38 -39.69 92.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.49 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.39 -42.96 82.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.441 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.78 -37.67 88.24 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.089999999999999997 110.271 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 53' ' ' LEU . 40.3 mt -61.26 -44.25 97.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.371 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.68 -43.1 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.009 0.433 . . . . 0.0 110.044 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.569 ' OE1' ' N ' ' B' ' 56' ' ' THR . 1.0 OUTLIER -60.23 -42.72 95.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.227 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.569 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 86.3 m -57.68 -42.96 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.059999999999999998 110.009 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.26 -39.11 91.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.929 0.395 . . . . 0.0 110.562 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.479 HD11 HG11 ' B' ' 7' ' ' VAL . 96.2 mt -63.4 -28.04 69.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.757 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' NE2' ' B' ' 55' ' ' GLN . 96.4 mt -86.24 -30.7 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.546 . . . . 0.040000000000000001 110.746 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.94 -10.79 59.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.58 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.03 -164.47 0.22 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -84.02 111.16 19.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.826 0.346 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.72 143.21 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.399 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.7 149.87 49.99 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.53 130.11 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.46 61.01 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -78.89 140.41 38.12 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.631 0.253 . . . . 0.0 110.432 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 99.7 mtp -88.51 -73.74 0.48 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.622 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.549 ' NZ ' ' OE2' ' C' ' 5' ' ' GLU . 68.7 mmtt -95.3 -112.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.841 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.4 m -91.72 -144.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.735 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.497 ' O ' HG23 ' B' ' 75' ' ' VAL . 93.4 p -132.53 168.49 18.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.516 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.24 -43.24 92.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.548 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.515 ' CG1' HG21 ' B' ' 8' ' ' VAL . 79.2 t -62.46 -44.63 99.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.576 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.09 -38.47 88.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.122 0.487 . . . . 0.11 110.95 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 71' ' ' SER . 64.8 t -58.81 -47.19 90.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.804 -0.634 . . . . 0.38 110.302 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.467 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 11.5 t-160 -57.39 -44.21 84.3 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.863 -0.335 . . . . 1.1100000000000001 110.303 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.88 98.66 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.843 0.354 . . . . 0.059999999999999998 110.4 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.465 ' OE1' ' NE2' ' B' ' 55' ' ' GLN . 28.3 mm100 -61.3 -40.82 95.58 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.0900000000000001 110.234 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 83' ' ' THR . 48.2 tp -58.54 -44.55 89.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.419 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.467 ' CE1' ' NE2' ' B' ' 76' ' ' HIS . 52.9 m170 -67.96 -48.77 64.95 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.732 -0.387 . . . . 0.080000000000000002 110.729 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.02 -45.46 93.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.879 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.43 -43.01 99.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.253 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.514 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.4 p -64.73 -46.26 82.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.49 -50.16 72.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.5 -48.53 79.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.486 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.5 -44.51 96.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.067 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.97 83.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.893 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -58.36 -46.0 87.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.225 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.44 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.3 mt-10 -60.89 -43.56 98.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.167 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.37 -42.56 96.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.188 0.518 . . . . 0.0 110.003 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.576 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.2 mt -60.58 -42.48 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.251 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -57.64 -46.0 84.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.099 0.476 . . . . 0.0 109.842 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.518 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.6 mt-10 -63.29 -42.35 99.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.456 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.509 HD13 ' OE1' ' A' ' 93' ' ' GLU . 79.5 mt -60.44 -42.72 96.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.589 HD12 ' SD ' ' B' ' 41' ' ' MET . 85.8 mt -60.8 -43.0 94.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.533 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.12 -38.69 89.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.721 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 97' ' ' LEU . 40.4 mt -62.27 -41.73 98.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.797 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -60.79 -39.98 90.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.732 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' B' ' 102' ' ' LYS . 84.7 tt0 -63.24 -38.49 91.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.1 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.79 -40.22 94.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.149 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt -63.83 -42.17 97.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.396 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.5 mttt -91.46 145.2 24.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.386 0 CA-C-O 117.915 -1.04 . . . . 0.0 110.498 -179.783 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -61.5 -37.44 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' C' ' 6' ' ' GLU . 50.3 tp10 -59.31 -78.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.735 ' O ' HG23 ' C' ' 8' ' ' VAL . 57.1 mt -38.61 -37.36 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.454 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' GLU . . . . . 0.549 ' OE2' ' NZ ' ' B' ' 69' ' ' LYS . 50.9 tp10 -63.21 -49.03 75.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.816 0.341 . . . . 1.9399999999999999 110.382 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.2 tt0 -67.5 -36.59 81.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.334 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.474 HG11 HD11 ' C' ' 58' ' ' LEU . 71.6 t -63.57 -42.83 97.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.735 HG23 ' O ' ' C' ' 4' ' ' LEU . 86.8 t -61.27 -44.61 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.972 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.7 mtp -59.59 -41.04 89.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.562 -0.533 . . . . 0.17999999999999999 109.562 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.16 -42.62 96.36 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' C' ' 11' ' ' LEU . 34.6 mt -63.12 -43.05 99.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 110.34 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.15 -44.34 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.29999999999999999 109.699 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.51 -44.33 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.02 110.055 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.502 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 47.9 t-20 -60.17 -46.35 89.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.818 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.0 p -60.6 -43.07 97.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.176 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.45 -43.7 97.81 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -61.92 -42.94 99.67 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -49.03 78.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.784 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -61.12 -45.57 94.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -56.33 -44.49 80.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.58 -41.67 97.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.709 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.82 -48.28 80.2 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.44 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.5 m-85 -60.25 -41.85 94.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.567 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.38 94.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.72 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.94 89.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.616 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.67 -45.28 94.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.468 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -55.68 -43.1 76.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.539 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.6 mt-30 -61.66 -40.62 95.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.182 0.515 . . . . 0.0 110.025 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.75 96.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.796 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.97 -28.91 69.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.07 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.32 -4.64 54.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.453 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.36 15.0 67.38 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.7 78.15 2.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.752 0.31 . . . . 0.0 110.223 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -64.34 -35.08 79.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.56 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.22 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.067 0.461 . . . . 0.0 110.745 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ALA . . . . . 0.445 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.36 -34.37 78.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.43 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.58 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.491 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.28 -43.23 99.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.557 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.11 -41.82 99.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mmm -65.81 -42.14 91.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.567 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.1 mtm -63.79 -40.56 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.68 -44.51 96.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.441 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.98 -40.97 97.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.273 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 42.7 t -61.52 -45.32 94.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -60.64 -41.82 95.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.281 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.02 -41.82 98.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.384 0.611 . . . . 0.0 110.552 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.65 99.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.316 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 48' ' ' LEU . 91.5 mt -65.64 -39.89 91.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.04 -41.52 96.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.379 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.24 -40.08 93.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 109.963 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.502 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.99 -43.46 82.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.467 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.14 -37.75 88.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.089999999999999997 110.332 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -61.61 -43.92 97.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.317 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.76 -43.26 93.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.056 0.455 . . . . 0.0 109.99 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.585 ' OE1' ' N ' ' C' ' 56' ' ' THR . 1.1 tm0? -60.29 -42.8 96.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.223 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.967 HG21 HG22 ' D' ' 356' ' ' THR . 90.1 m -57.6 -42.5 83.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.059999999999999998 110.161 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.78 -38.98 92.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.911 0.386 . . . . 0.0 110.529 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.474 HD11 HG11 ' C' ' 7' ' ' VAL . 96.3 mt -63.33 -27.97 69.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.79 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.462 ' CD1' ' NE2' ' C' ' 55' ' ' GLN . 96.3 mt -86.29 -30.73 6.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.569 . . . . 0.059999999999999998 110.863 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.519 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.7 mm-40 -81.04 -10.67 59.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.44 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.15 -164.08 0.22 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -84.32 111.24 19.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.771 0.32 . . . . 0.0 110.526 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.58 142.8 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.31 149.9 50.4 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.53 130.39 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.554 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.27 -15.6 61.11 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -78.47 140.04 38.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.624 0.249 . . . . 0.0 110.58 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 99.7 mtp -88.3 -73.44 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.569 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -95.59 -113.01 0.13 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 33.4 m -91.3 -145.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.733 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.513 ' O ' HG23 ' C' ' 75' ' ' VAL . 97.9 p -131.83 170.99 14.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.464 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.94 -43.85 94.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.708 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.479 ' CG1' HG21 ' C' ' 8' ' ' VAL . 76.8 t -63.16 -44.87 99.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 130.111 3.364 . . . . 0.0 110.532 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.15 -38.6 91.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.086 0.47 . . . . 0.11 110.979 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.513 HG23 ' O ' ' C' ' 71' ' ' SER . 65.7 t -58.82 -47.74 88.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.842 -0.617 . . . . 0.40000000000000002 110.203 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.459 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 11.3 t-160 -57.58 -43.89 84.92 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.907 -0.317 . . . . 1.02 110.388 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.09 98.58 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.371 . . . . 0.059999999999999998 110.384 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' GLN . . . . . 0.446 ' OE1' ' NE2' ' C' ' 55' ' ' GLN . 28.4 mm100 -61.07 -41.03 95.86 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.301 -0.409 . . . . 1.0900000000000001 110.258 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.522 ' O ' HG23 ' C' ' 83' ' ' THR . 46.0 tp -58.13 -44.59 87.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.483 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.459 ' CE1' ' NE2' ' C' ' 76' ' ' HIS . 52.5 m170 -68.13 -48.74 64.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.292 -0.413 . . . . 0.080000000000000002 110.764 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.95 -45.51 93.33 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.809 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.3 mmm -61.36 -43.27 99.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.377 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.522 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.9 p -64.25 -46.85 81.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.255 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.16 -50.29 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.553 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.3 -48.7 78.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.489 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.24 -44.86 96.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.157 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.11 82.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.944 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -58.23 -45.99 86.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.282 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.61 -43.77 97.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.195 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.41 -42.63 95.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.199 0.523 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.576 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.2 mt -60.36 -42.64 91.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.375 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 87.1 m -57.39 -46.11 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.102 0.477 . . . . 0.0 109.996 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.22 -42.65 99.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.501 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.518 HD13 ' OE1' ' B' ' 93' ' ' GLU . 79.5 mt -60.04 -42.62 94.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.567 HD12 ' SD ' ' C' ' 41' ' ' MET . 84.4 mt -60.91 -43.14 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.624 179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.9 -38.58 88.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.746 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' C' ' 97' ' ' LEU . 40.4 mt -62.28 -41.65 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.869 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -60.95 -39.98 91.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' C' ' 102' ' ' LYS . 84.0 tt0 -63.29 -38.58 91.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.052 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.49 -40.29 95.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.233 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.88 -42.38 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.361 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.4 mttt -91.02 145.04 25.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.457 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.559 179.885 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 121.892 0.853 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.85 142.98 36.55 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.28 38.56 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.07 -1.019 . . . . 0.0 109.586 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.3 mm-40 -152.14 149.22 28.54 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.3 152.34 18.98 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.012 -1.055 . . . . 0.0 108.368 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.41 19.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.78 136.54 37.18 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.146 0.974 . . . . 0.0 110.104 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.93 114.26 24.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.87 -4.25 19.42 Favored 'General case' 0 C--N 1.265 -3.088 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.82 85.81 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 119.685 -1.884 . . . . 0.0 110.597 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.52 -47.68 12.92 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 124.734 3.623 . . . . 0.0 114.156 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.11 27.52 6.57 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 116.047 -2.261 . . . . 0.0 108.829 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.61 -126.97 28.14 Favored Glycine 0 N--CA 1.497 2.745 0 C-N-CA 117.611 -2.233 . . . . 0.0 109.537 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.756 HD11 HD23 ' D' ' 384' ' ' LEU . 3.5 tp -127.7 78.08 1.8 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.985 -1.303 . . . . 0.0 109.501 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -85.38 177.12 7.91 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 117.899 -1.521 . . . . 0.0 112.124 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.511 ' OG1' ' O1 ' ' D' ' 200' ' ' PO3 . 41.1 p -23.02 -70.47 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.551 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.6 ttt-85 -45.97 -65.83 0.61 Allowed Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.444 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.1 -32.17 64.19 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.95 1.767 . . . . 0.0 111.53 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.499 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.87 86.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.225 -0.922 . . . . 0.0 109.471 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.68 72.49 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.91 -39.39 94.07 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.034 -1.467 . . . . 0.0 109.493 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.7 -45.31 93.36 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.662 1.22 . . . . 0.0 108.683 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.609 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 58.6 t -62.67 -42.3 95.54 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.624 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.402 ' HD2' HD13 ' A' ' 13' ' ' ILE . 76.7 mttt -63.85 -40.23 96.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.204 -0.935 . . . . 0.0 109.818 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.526 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.75 -39.75 80.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.508 -0.745 . . . . 0.0 109.547 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.0 91.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.598 -1.314 . . . . 0.0 109.393 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 327' ' ' LYS . . . . . 0.609 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.6 mttp -61.33 -16.26 44.16 Favored 'General case' 0 N--CA 1.511 2.575 0 O-C-N 121.32 -0.862 . . . . 0.0 113.313 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.53 86.06 Favored Glycine 0 N--CA 1.479 1.526 0 O-C-N 119.921 -1.737 . . . . 0.0 109.41 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.422 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.52 143.37 32.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.241 -1.74 . . . . 0.0 109.984 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.5 p -75.68 -30.03 59.23 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.267 -0.895 . . . . 0.0 112.275 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.71 158.48 10.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.826 -1.796 . . . . 0.0 112.834 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.585 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.2 35.34 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 102.878 -3.008 . . . . 0.0 102.878 171.221 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.67 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.435 0 O-C-N 121.107 -0.996 . . . . 0.0 109.313 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.98 143.18 51.03 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-O 123.095 1.426 . . . . 0.0 109.979 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.1 t -108.02 129.96 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 173.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.4 m -127.54 119.54 26.23 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.894 -1.128 . . . . 0.0 108.928 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.55 39.16 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 119.941 -0.703 . . . . 0.0 109.966 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.82 38.9 24.49 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.895 -1.128 . . . . 0.0 112.7 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.76 10.95 83.52 Favored Glycine 0 N--CA 1.503 3.123 0 O-C-N 119.975 -1.703 . . . . 0.0 112.515 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.84 136.26 54.55 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.8 158.55 33.08 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.805 1.764 . . . . 0.0 112.335 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.35 31.33 Favored 'General case' 0 C--N 1.279 -2.459 0 CA-C-N 112.453 -2.158 . . . . 0.0 108.598 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.57 135.98 48.91 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.434 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.02 -6.79 47.81 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.697 -1.252 . . . . 0.0 110.686 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.5 13.0 31.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.614 -1.304 . . . . 0.0 109.391 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.6 t -133.08 104.18 6.39 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.208 1.004 . . . . 0.0 110.152 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.24 -37.92 73.01 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.006 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -58.82 -51.45 69.94 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.63 -1.294 . . . . 0.0 113.034 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.54 70.77 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 119.505 -1.997 . . . . 0.0 109.178 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.72 -33.69 75.64 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.002 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.519 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.78 -10.37 52.18 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.657 -0.652 . . . . 0.0 109.932 -177.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.0 p -89.82 -7.73 53.68 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 118.081 -1.448 . . . . 0.0 110.937 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.6 mt -93.31 159.34 15.31 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.226 -0.921 . . . . 0.0 110.215 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 106.927 -2.469 . . . . 0.0 106.927 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 355' ' ' LEU . . . . . 0.44 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.2 mt -119.57 47.38 1.72 Allowed 'General case' 0 C--N 1.308 -1.202 0 O-C-N 120.703 -1.469 . . . . 0.0 107.343 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.967 HG22 HG21 ' C' ' 56' ' ' THR . 72.1 p -81.4 172.48 13.49 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.274 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.63 140.88 57.26 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.936 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.22 79.09 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 120.024 -1.084 . . . . 0.0 111.411 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.41 135.86 34.1 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.957 -1.319 . . . . 0.0 110.698 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.42 123.73 48.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.1 m -112.18 160.09 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 117.404 -1.718 . . . . 0.0 110.614 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.88 128.44 54.92 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.506 -1.371 . . . . 0.0 107.58 175.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.84 121.44 60.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 176.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.22 50.72 Favored 'General case' 0 C--N 1.284 -2.248 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.36 47.14 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.556 -1.258 . . . . 0.0 109.769 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.78 6.43 Favored 'General case' 0 C--N 1.288 -2.066 0 C-N-CA 118.57 -1.252 . . . . 0.0 108.025 178.249 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.39 40.14 Favored Glycine 0 C--N 1.295 -1.703 0 C-N-CA 118.023 -2.036 . . . . 0.0 110.359 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.27 -40.65 82.43 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 114.388 -0.906 . . . . 0.0 112.243 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.03 36.81 3.53 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 115.856 -2.337 . . . . 0.0 108.555 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.27 -33.66 65.7 Favored 'General case' 0 N--CA 1.522 3.157 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.467 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.57 27.58 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.624 -1.922 . . . . 0.0 111.003 -176.511 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.776 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.79 98.01 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.51 77.6 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 117.468 -1.693 . . . . 0.0 110.037 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.87 -42.2 88.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.223 1.011 . . . . 0.0 109.275 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.87 -47.96 76.41 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-O 122.083 0.944 . . . . 0.0 108.68 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.776 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.84 -38.22 76.44 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.686 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.5 mt -75.62 -28.65 58.92 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.404 -1.435 . . . . 0.0 110.859 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.59 71.45 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.455 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.84 -49.33 62.76 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.526 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.21 -45.18 84.06 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.044 -1.062 . . . . 0.0 110.56 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.35 85.42 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.877 -1.139 . . . . 0.0 111.545 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.88 61.71 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.041 -1.037 . . . . 0.0 110.27 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.81 -32.39 46.27 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.459 -0.776 . . . . 0.0 111.325 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.756 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.09 125.41 12.15 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 124.327 2.013 . . . . 0.0 112.874 178.714 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.8 mt-10 . . . . . 0 C--N 1.278 -2.527 0 CA-C-N 111.11 -2.768 . . . . 0.0 110.155 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.674 ' O1 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -57.95 -37.58 74.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 6' ' ' GLU . 83.5 tt0 -61.72 -70.52 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 8' ' ' VAL . 57.8 mt -37.96 -38.97 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.444 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.42 -47.25 79.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.948 0.404 . . . . 1.9399999999999999 110.314 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.5 mt-10 -66.56 -35.5 80.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.284 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.32 -42.4 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 4' ' ' LEU . 88.3 t -60.4 -44.27 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.947 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.8 -41.77 87.52 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.534 -0.543 . . . . 0.17999999999999999 109.534 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.94 -42.1 98.43 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.93 -42.59 99.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.869 0.366 . . . . 0.0 110.242 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.09 -43.92 99.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.02 -0.536 . . . . 0.20000000000000001 109.763 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.433 HD11 ' HB1' ' D' ' 320' ' ' ALA . 86.1 mt -63.53 -43.98 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.004 -0.544 . . . . 0.01 109.967 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -60.81 -45.61 93.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.751 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -60.58 -43.95 96.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.946 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.571 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.11 -42.71 99.45 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.19 -43.11 99.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.575 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.09 -49.49 76.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -60.49 -45.82 92.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -55.51 -44.49 76.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.32 -42.5 98.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.651 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.557 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.5 -50.33 74.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.7 -41.83 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.607 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.87 95.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -42.51 80.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.68 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.85 -44.91 96.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.457 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.4 -41.46 76.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.18 -43.67 98.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.831 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.61 93.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.647 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' NZ ' ' NE2' ' A' ' 98' ' ' HIS . 69.2 mmtt -61.11 -29.52 69.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.188 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -82.0 -3.89 55.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.497 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.91 15.93 73.86 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -96.79 81.11 3.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.78 0.324 . . . . 0.0 110.292 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -64.6 -34.95 79.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.669 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.51 83.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.032 0.444 . . . . 0.0 110.754 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.85 81.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.388 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.62 79.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.576 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -61.7 -42.59 99.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.638 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.52 99.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.8 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -64.86 -40.68 95.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.2 mmt -62.02 -41.49 98.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.665 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.48 -43.61 98.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.4 . . . . 0.0 110.493 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -65.36 -41.26 94.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.172 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.77 -46.23 90.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -60.62 -42.04 96.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.316 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.38 -43.66 98.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.233 0.539 . . . . 0.0 110.608 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.05 97.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.25 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.575 HD21 ' CB ' ' A' ' 18' ' ' ALA . 87.5 mt -64.7 -40.5 95.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.609 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.414 HD22 ' HA ' ' A' ' 49' ' ' ASN . 8.1 m120 -61.05 -41.85 97.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.267 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.67 -40.61 92.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.187 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.3 78.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.501 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -60.7 -39.29 87.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.089999999999999997 110.345 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.6 mt -60.4 -44.29 95.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.341 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.57 -43.27 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.096 0.474 . . . . 0.0 110.037 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.676 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -59.67 -44.44 93.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.241 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -56.75 -42.5 79.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.059999999999999998 110.107 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.57 -38.95 89.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.496 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.78 -32.7 74.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.687 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.614 HD11 ' OE1' ' A' ' 55' ' ' GLN . 76.8 mt -77.3 -32.23 18.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.033 -0.53 . . . . 0.050000000000000003 110.864 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -80.85 -18.36 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.21 -20.23 26.06 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -93.61 -23.52 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.599 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.98 93.66 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.52 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.485 ' H ' ' HB3' ' A' ' 67' ' ' LYS . . . -92.08 177.66 39.94 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.49 111.75 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.649 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.88 1.51 87.39 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' H ' ' A' ' 64' ' ' GLY . 88.6 tttt -94.61 142.05 27.9 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.741 0.305 . . . . 0.0 110.414 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 68' ' ' MET . 4.5 mpp? -66.7 140.71 57.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.546 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -89.22 -6.55 56.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.4 t -99.99 117.07 44.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.719 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.587 ' O ' HG23 ' A' ' 75' ' ' VAL . 87.1 p -129.48 162.54 27.9 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 72' ' ' LEU . 35.2 mt -57.4 -45.94 84.02 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.609 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.563 HG13 HG21 ' A' ' 8' ' ' VAL . 72.1 t -64.24 -47.44 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-O 120.946 0.403 . . . . 0.0 110.621 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.676 ' CD2' HE22 ' A' ' 55' ' ' GLN . 83.3 mt -63.66 -42.08 98.12 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.168 -0.469 . . . . 0.11 110.903 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 71' ' ' SER . 53.5 t -59.86 -47.54 91.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.735 -0.666 . . . . 0.38 110.285 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -59.09 -45.5 90.68 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.294 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.81 94.77 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.752 0.311 . . . . 0.059999999999999998 110.682 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.43 -40.06 95.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 1.0900000000000001 110.156 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 83' ' ' THR . 46.8 tp -56.42 -47.48 78.95 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.406 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.58 ' NE2' ' O3 ' ' D' ' 200' ' ' PO3 . 42.9 m80 -67.95 -46.24 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 0.080000000000000002 110.716 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.6 mt -60.74 -46.52 90.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.82 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.52 -42.71 99.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.205 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.5 p -64.35 -46.63 82.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.058 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.14 -49.41 75.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.49 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -58.05 -47.59 82.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.505 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.98 -44.6 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.058 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.4 80.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.82 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -58.06 -45.26 87.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.088 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -61.7 -43.62 98.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.04 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.22 -43.08 92.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.193 0.521 . . . . 0.0 109.861 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.557 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.2 mt -60.84 -42.59 93.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.249 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -57.95 -45.57 86.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 109.876 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.552 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.3 mt-10 -64.14 -43.49 95.05 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 70.8 mt -59.15 -43.83 92.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.0 -42.69 94.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.47 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.92 -40.43 93.13 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.29 -42.25 99.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.86 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.571 ' NE2' ' NZ ' ' A' ' 30' ' ' LYS . 67.4 m80 -60.2 -39.88 88.12 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.511 ' O ' ' O ' ' A' ' 102' ' ' LYS . 83.1 tt0 -61.84 -40.96 97.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.214 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.57 -38.01 88.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.217 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.3 -42.5 96.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.448 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.511 ' O ' ' O ' ' A' ' 99' ' ' GLU . 54.5 mtmt -96.59 142.25 28.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.512 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.545 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -57.92 -37.61 74.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 6' ' ' GLU . 84.7 tt0 -61.64 -70.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.496 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.613 ' O ' HG23 ' B' ' 8' ' ' VAL . 59.0 mt -38.09 -39.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.3 -47.13 80.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.94 0.4 . . . . 1.9399999999999999 110.387 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt-10 -66.49 -35.64 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.229 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.39 -42.12 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.32 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.613 HG23 ' O ' ' B' ' 4' ' ' LEU . 85.7 t -60.69 -44.35 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.863 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.85 -41.96 88.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.55 -0.537 . . . . 0.17999999999999999 109.55 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.78 -42.08 98.66 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.89 -42.63 99.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 110.375 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.18 -44.01 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.52 . . . . 0.28999999999999998 109.646 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.27 -44.19 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.02 109.999 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.84 -45.36 94.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.822 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -60.45 -44.15 96.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.135 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.27 -42.15 99.36 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.55 -43.05 98.2 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.582 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.06 -49.16 77.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.934 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.471 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 77.2 ttt180 -60.68 -45.73 93.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -55.78 -44.33 77.62 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.19 -42.57 99.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.565 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.77 -50.15 74.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.486 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 7.8 m-85 -59.64 -41.95 91.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.705 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.94 95.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.671 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.26 80.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.675 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.05 -45.04 96.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.34 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.48 -41.17 76.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.47 -43.2 99.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.855 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.55 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.65 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.604 ' NZ ' ' NE2' ' B' ' 98' ' ' HIS . 69.3 mmtt -60.96 -29.88 69.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.059 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.95 -3.8 55.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.397 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.63 15.92 74.57 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.48 80.86 3.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.813 0.339 . . . . 0.0 110.356 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -64.4 -35.15 79.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.59 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.66 83.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.015 0.436 . . . . 0.0 110.789 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.65 81.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.398 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.56 78.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -61.52 -43.1 99.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.43 99.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.5 mmm -65.05 -40.58 94.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.555 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.0 mmt -62.17 -41.6 98.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.587 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.36 -43.8 97.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.463 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.11 -41.39 94.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.249 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.7 -46.61 88.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.471 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -60.14 -42.16 94.25 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.304 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 54.3 ttp -61.17 -43.67 98.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.282 0.563 . . . . 0.0 110.688 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.63 96.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.099 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.582 HD21 ' CB ' ' B' ' 18' ' ' ALA . 87.6 mt -64.94 -40.24 94.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.767 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.25 -41.73 97.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.385 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.48 -41.01 93.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.152 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.75 -45.33 78.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.493 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.72 -39.34 88.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.089999999999999997 110.223 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.2 mt -60.44 -44.04 96.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.318 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.0 -43.18 92.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.011 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.681 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.1 OUTLIER -59.47 -44.71 92.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.196 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.67 -42.61 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.059999999999999998 109.933 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.41 -39.05 89.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.932 0.396 . . . . 0.0 110.593 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.75 -32.73 74.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.61 HD11 ' OE1' ' B' ' 55' ' ' GLN . 77.9 mt -77.31 -32.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.5 . . . . 0.040000000000000001 110.737 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.68 -18.33 48.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.583 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.2 -20.44 25.47 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -93.55 -23.84 18.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.59 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.53 94.02 8.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.446 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.486 ' H ' ' HB3' ' B' ' 67' ' ' LYS . . . -92.17 177.74 39.83 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.82 111.56 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 110.621 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.17 1.91 88.46 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.486 ' HB3' ' H ' ' B' ' 64' ' ' GLY . 88.6 tttt -95.28 142.2 27.96 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.619 0.247 . . . . 0.0 110.471 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' MET . . . . . 0.464 ' N ' ' SD ' ' B' ' 68' ' ' MET . 4.5 mpp? -67.0 141.28 57.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.619 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -89.63 -5.96 56.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.6 t -101.05 117.26 46.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.612 ' O ' HG23 ' B' ' 75' ' ' VAL . 96.2 p -129.36 164.3 23.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.599 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 72' ' ' LEU . 39.0 mt -59.7 -45.59 91.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.504 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.563 HG13 HG21 ' B' ' 8' ' ' VAL . 76.4 t -63.75 -46.57 94.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.763 0.316 . . . . 0.0 110.63 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.681 ' CD2' HE22 ' B' ' 55' ' ' GLN . 83.5 mt -64.13 -41.19 97.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.11 110.948 -179.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 71' ' ' SER . 53.2 t -60.71 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.849 -0.614 . . . . 0.38 110.264 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.409 ' O ' ' HD2' ' B' ' 80' ' ' HIS . 54.4 t-80 -59.47 -45.52 91.41 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.841 -0.344 . . . . 1.1100000000000001 110.367 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.55 96.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.945 0.403 . . . . 0.059999999999999998 110.414 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -62.84 -40.14 96.52 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0900000000000001 110.238 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 83' ' ' THR . 48.1 tp -56.8 -46.64 81.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.398 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.409 ' HD2' ' O ' ' B' ' 76' ' ' HIS . 25.9 m-70 -68.43 -46.15 70.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.383 -0.371 . . . . 0.080000000000000002 110.681 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.97 -46.3 91.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.856 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.69 -42.59 99.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.268 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.9 p -64.25 -46.84 81.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.16 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -61.9 -49.59 75.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.61 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.76 -48.04 80.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.468 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.82 -44.31 97.1 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.175 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.69 84.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.891 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -58.4 -45.5 88.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.285 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.481 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.8 mt-10 -61.28 -43.92 98.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.143 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.95 -43.03 94.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 109.963 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.565 HD12 ' HB1' ' B' ' 22' ' ' ALA . 75.9 mt -60.87 -42.36 92.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.238 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -58.12 -46.05 86.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.077 0.465 . . . . 0.0 109.854 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.558 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.58 -43.74 96.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.414 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.552 HD13 ' OE1' ' A' ' 93' ' ' GLU . 71.9 mt -58.8 -43.96 90.65 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.02 -42.87 94.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.564 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.53 -40.45 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.54 -42.49 99.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.801 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.604 ' NE2' ' NZ ' ' B' ' 30' ' ' LYS . 67.2 m80 -59.74 -40.33 87.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.788 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.514 ' O ' ' O ' ' B' ' 102' ' ' LYS . 82.8 tt0 -61.47 -40.87 96.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.156 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.78 -38.12 88.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.133 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 38.9 mt -64.0 -43.26 96.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.325 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' B' ' 99' ' ' GLU . 54.2 mtmt -95.81 142.17 28.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.548 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.22 -37.34 74.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.614 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 83.8 tt0 -61.85 -70.68 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.628 ' O ' HG23 ' C' ' 8' ' ' VAL . 56.9 mt -37.91 -39.03 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.47 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.41 -47.16 80.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.803 0.335 . . . . 1.9399999999999999 110.348 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 96.8 mt-10 -66.47 -35.68 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.323 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.09 -42.55 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.365 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.628 HG23 ' O ' ' C' ' 4' ' ' LEU . 89.8 t -60.21 -44.56 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.013 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.78 -41.49 86.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.621 -0.511 . . . . 0.17999999999999999 109.621 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -41.96 98.06 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.98 -42.34 99.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.343 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.45 -44.06 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.29999999999999999 109.629 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.17 -44.06 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.02 110.1 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.96 -45.28 95.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.784 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.7 -44.01 97.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.165 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -42.27 99.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -63.69 -42.61 97.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.848 -0.426 . . . . 0.0 109.848 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.56 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.44 -49.54 76.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.747 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.481 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 77.3 ttt180 -60.37 -46.11 91.12 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -55.43 -44.68 76.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.77 -42.74 99.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.68 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.578 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.48 -50.51 73.63 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.455 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 7.9 m-85 -59.46 -41.88 90.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.531 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.2 95.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.736 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.08 85.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.576 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.84 -44.88 96.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.404 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.78 -41.12 77.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.59 -43.36 99.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.168 0.509 . . . . 0.0 109.879 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.77 94.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.775 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' LYS . . . . . 0.606 ' NZ ' ' NE2' ' C' ' 98' ' ' HIS . 69.3 mmtt -60.97 -29.82 69.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.1 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.7 -3.84 54.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.513 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.75 16.22 73.51 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.85 81.1 3.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -64.64 -34.92 79.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.483 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.64 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.1 0.476 . . . . 0.0 110.672 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.66 81.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.371 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.56 -48.74 78.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -61.52 -42.76 99.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.576 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.74 99.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -64.77 -40.84 95.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 11.1 mmt -61.87 -41.79 98.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.572 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.49 -43.65 98.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.42 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -64.99 -41.97 94.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.292 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.21 -46.56 89.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.604 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -60.31 -42.1 94.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.338 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 54.2 ttp -61.06 -43.91 98.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.36 0.6 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.97 97.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.359 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.56 HD21 ' CB ' ' C' ' 18' ' ' ALA . 87.0 mt -64.55 -40.36 95.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.708 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.46 -41.69 97.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.43 -41.05 93.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.033 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.64 78.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.436 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' D' ' 312' ' ' ASN . 84.0 t60 -60.46 -39.32 87.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.048 -0.523 . . . . 0.089999999999999997 110.307 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.52 -44.03 96.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.297 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.77 -43.45 93.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.096 0.474 . . . . 0.0 109.963 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.707 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.1 OUTLIER -59.42 -44.82 92.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.245 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.887 HG21 HG22 ' D' ' 356' ' ' THR . 18.9 m -56.59 -42.32 78.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.303 -0.408 . . . . 0.059999999999999998 110.177 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.66 -39.04 89.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.509 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 58' ' ' LEU . 99.1 mt -63.42 -32.74 74.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.611 HD11 ' OE1' ' C' ' 55' ' ' GLN . 76.8 mt -77.49 -32.24 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.053 -0.521 . . . . 0.059999999999999998 110.829 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 76.0 mm-40 -80.91 -18.34 47.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.26 -20.17 26.12 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -93.67 -23.71 18.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.74 93.92 8.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.467 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' GLY . . . . . 0.492 ' H ' ' HB3' ' C' ' 67' ' ' LYS . . . -92.44 177.69 39.38 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.61 111.62 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 110.589 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.28 1.72 88.51 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.492 ' HB3' ' H ' ' C' ' 64' ' ' GLY . 88.6 tttt -94.95 141.92 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.597 0.237 . . . . 0.0 110.561 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 68' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' C' ' 68' ' ' MET . 4.4 mpp? -66.88 141.2 57.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.601 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -89.63 -5.77 56.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.81 116.63 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.626 ' O ' HG23 ' C' ' 75' ' ' VAL . 98.7 p -128.04 166.59 18.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.4 -44.93 96.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.676 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.567 HG13 HG21 ' C' ' 8' ' ' VAL . 79.0 t -64.63 -47.51 88.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 130.104 3.362 . . . . 0.0 110.621 -178.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.707 ' CD2' HE22 ' C' ' 55' ' ' GLN . 86.3 mt -65.57 -41.46 92.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.101 0.477 . . . . 0.11 110.982 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.626 HG23 ' O ' ' C' ' 71' ' ' SER . 53.2 t -60.61 -47.91 90.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.806 -0.634 . . . . 0.40000000000000002 110.177 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.407 ' O ' ' HD2' ' C' ' 80' ' ' HIS . 54.5 t-80 -59.17 -45.66 90.43 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.835 -0.346 . . . . 1.02 110.352 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.66 95.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.873 0.368 . . . . 0.059999999999999998 110.377 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.6 -40.15 96.01 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.229 -0.442 . . . . 1.0900000000000001 110.242 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' C' ' 83' ' ' THR . 47.7 tp -56.65 -47.13 80.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.472 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' C' ' 76' ' ' HIS . 26.3 m-70 -68.0 -46.4 71.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.361 -0.381 . . . . 0.080000000000000002 110.717 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.8 mt -60.83 -46.17 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.81 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.88 -42.25 98.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.358 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -64.62 -46.78 81.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.143 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 10.9 t -62.12 -49.31 76.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.574 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.74 -48.09 80.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.496 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.82 -44.38 96.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.113 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.22 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.926 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -57.8 -45.72 85.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.29 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.16 -43.77 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.174 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.23 -43.11 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.193 0.52 . . . . 0.0 109.983 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.578 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.0 mt -60.53 -42.51 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.438 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 75.1 m -58.21 -45.73 87.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 0.0 110.031 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.82 -43.38 96.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.468 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.558 HD13 ' OE1' ' B' ' 93' ' ' GLU . 72.0 mt -59.03 -43.91 91.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.279 0.561 . . . . 0.0 109.498 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.01 -42.68 93.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.526 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.78 -40.34 92.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.45 -42.62 99.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.881 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.606 ' NE2' ' NZ ' ' C' ' 30' ' ' LYS . 67.4 m80 -59.71 -40.31 87.54 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.746 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.525 ' O ' ' O ' ' C' ' 102' ' ' LYS . 84.1 tt0 -61.63 -40.74 95.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.107 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.8 -38.31 88.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.17 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.84 -43.11 97.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.399 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.525 ' O ' ' O ' ' C' ' 99' ' ' GLU . 54.4 mtmt -95.97 142.15 28.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.384 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.526 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 121.869 0.842 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 143.02 36.73 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.32 38.6 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.025 -1.047 . . . . 0.0 109.564 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.4 18.88 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.054 -1.028 . . . . 0.0 108.386 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.92 144.32 19.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.68 136.54 37.07 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 122.155 0.979 . . . . 0.0 110.197 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.89 114.27 24.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.2 p -106.92 -4.23 19.35 Favored 'General case' 0 C--N 1.265 -3.071 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.78 85.69 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 119.675 -1.891 . . . . 0.0 110.636 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -45.54 -47.61 13.06 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 124.734 3.622 . . . . 0.0 114.086 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.405 ' HA ' ' CD2' ' C' ' 52' ' ' HIS . 92.1 m-20 -102.17 27.5 6.62 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 116.127 -2.229 . . . . 0.0 108.77 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.24 -123.95 21.71 Favored Glycine 0 N--CA 1.495 2.605 0 C-N-CA 117.718 -2.182 . . . . 0.0 109.633 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.749 HD11 HD23 ' D' ' 384' ' ' LEU . 3.4 tp -132.08 76.31 1.69 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.924 -1.339 . . . . 0.0 109.521 -176.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -83.7 174.14 10.74 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 117.894 -1.522 . . . . 0.0 112.14 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.1 p -21.99 -69.41 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.571 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 24.5 ttt-85 -44.23 -66.41 0.47 Allowed Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 120.172 -0.611 . . . . 0.0 112.493 -177.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.58 -32.22 58.88 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 C-N-CA 121.675 1.583 . . . . 0.0 111.507 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.493 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.88 -38.89 87.16 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.21 -0.931 . . . . 0.0 109.526 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.433 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.92 -39.74 72.52 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.98 -39.36 93.95 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 117.995 -1.482 . . . . 0.0 109.494 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.35 93.19 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.572 1.177 . . . . 0.0 108.646 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.493 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.2 t -62.65 -42.22 95.21 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.674 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -63.95 -40.25 96.0 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.281 -0.887 . . . . 0.0 109.734 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.76 80.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.43 -0.794 . . . . 0.0 109.586 177.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.94 -44.07 91.3 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.752 -1.217 . . . . 0.0 109.445 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.33 -16.15 43.06 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.52 86.15 Favored Glycine 0 N--CA 1.479 1.545 0 O-C-N 119.94 -1.725 . . . . 0.0 109.342 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.5 143.33 32.87 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.271 -1.723 . . . . 0.0 109.995 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.57 -30.05 59.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.227 -0.921 . . . . 0.0 112.353 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.54 10.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 119.818 -1.801 . . . . 0.0 112.829 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.2 35.31 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 102.832 -3.025 . . . . 0.0 102.832 171.223 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.392 0 O-C-N 121.096 -1.002 . . . . 0.0 109.361 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.3 m -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-O 123.094 1.426 . . . . 0.0 109.9 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.9 t -108.12 129.89 61.58 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.701 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.6 m -127.39 119.58 26.51 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.86 -1.15 . . . . 0.0 108.96 -178.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.0 t -122.59 122.58 39.18 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.591 -0.693 . . . . 0.0 109.898 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.78 38.91 24.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.884 -1.135 . . . . 0.0 112.781 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.07 83.5 Favored Glycine 0 N--CA 1.502 3.088 0 O-C-N 120.001 -1.687 . . . . 0.0 112.557 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.93 136.28 54.58 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.78 158.54 33.09 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-O 123.831 1.777 . . . . 0.0 112.427 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.33 31.27 Favored 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 112.436 -2.165 . . . . 0.0 108.576 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.56 135.97 48.91 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.74 47.52 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.68 -1.262 . . . . 0.0 110.763 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.47 12.96 31.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.677 -1.264 . . . . 0.0 109.458 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.5 m -133.0 104.16 6.4 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 122.098 0.952 . . . . 0.0 110.197 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.6 tp -57.24 -37.99 73.12 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.918 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -58.86 -51.4 70.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.628 -1.295 . . . . 0.0 113.074 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -69.99 -32.48 70.7 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 119.542 -1.974 . . . . 0.0 109.186 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.76 -33.69 75.69 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.975 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.505 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.71 -10.44 52.45 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.618 -0.676 . . . . 0.0 109.885 -177.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.0 p -89.8 -7.69 53.82 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.935 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.501 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 96.6 mt -93.38 159.27 15.33 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.213 -0.929 . . . . 0.0 110.128 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.91 2.97 Favored Glycine 0 N--CA 1.485 1.943 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.61 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 120.74 -1.447 . . . . 0.0 107.432 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.887 HG22 HG21 ' C' ' 56' ' ' THR . 3.6 p -81.48 172.63 13.28 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.272 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -60.73 140.92 57.37 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.867 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.2 78.93 Favored Glycine 0 N--CA 1.5 2.963 0 C-N-CA 120.02 -1.086 . . . . 0.0 111.375 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.47 135.91 34.05 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.941 -1.329 . . . . 0.0 110.648 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 91.0 t -96.56 123.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.485 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.1 160.05 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 119.997 -1.689 . . . . 0.0 110.67 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.5 m -108.83 128.38 54.84 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.516 -1.365 . . . . 0.0 107.594 175.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.87 121.45 60.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.33 50.72 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 -179.599 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.81 153.42 47.09 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.765 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.79 6.42 Favored 'General case' 0 C--N 1.288 -2.094 0 C-N-CA 118.509 -1.276 . . . . 0.0 107.997 178.229 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.3 40.16 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 117.979 -2.058 . . . . 0.0 110.365 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.58 82.6 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.428 -0.886 . . . . 0.0 112.248 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.65 3.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 118.968 -2.333 . . . . 0.0 108.603 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.25 -33.67 65.64 Favored 'General case' 0 N--CA 1.521 3.124 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.465 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.53 27.75 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.544 -1.972 . . . . 0.0 111.02 -176.562 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.781 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.77 97.83 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.5 77.62 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 117.442 -1.703 . . . . 0.0 110.025 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.78 -42.26 89.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-O 122.231 1.015 . . . . 0.0 109.291 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.86 76.58 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-O 122.107 0.956 . . . . 0.0 108.789 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.781 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.82 -38.33 76.53 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.651 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' D' ' 377' ' ' LEU . 79.8 mt -75.63 -28.61 58.87 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.369 -1.457 . . . . 0.0 110.85 -174.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.47 70.94 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.436 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.9 -49.24 63.07 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.26 -45.27 84.15 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.042 -1.063 . . . . 0.0 110.523 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.485 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.28 -37.38 85.31 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.895 -1.128 . . . . 0.0 111.609 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.79 61.58 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.17 -0.956 . . . . 0.0 110.215 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -78.87 -32.33 45.91 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.517 -0.739 . . . . 0.0 111.304 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.749 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.06 125.47 12.24 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 124.313 2.006 . . . . 0.0 112.877 178.718 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.2 tt0 . . . . . 0 C--N 1.277 -2.548 0 CA-C-N 111.134 -2.757 . . . . 0.0 110.126 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.58 ' O3 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -57.73 -36.24 71.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 6' ' ' GLU . 96.9 mt-10 -58.82 -76.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.482 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.7 mt -37.92 -38.44 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.83 -46.91 79.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.946 0.403 . . . . 1.9399999999999999 110.284 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.8 tt0 -67.22 -36.41 81.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.217 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 58' ' ' LEU . 85.2 t -63.78 -42.18 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.363 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 4' ' ' LEU . 69.9 t -60.29 -44.87 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.93 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -58.91 -40.85 85.76 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.564 -0.532 . . . . 0.17999999999999999 109.564 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.27 97.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.83 -42.76 99.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.174 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.1 -43.85 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.20000000000000001 109.784 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.444 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.2 mt -64.02 -44.08 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.553 . . . . 0.01 109.984 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.22 -45.98 92.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.813 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.5 p -60.64 -43.36 97.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.003 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -42.71 98.92 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' OE1' ' NH2' ' D' ' 317' ' ' ARG . 28.1 mm100 -63.4 -42.52 98.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.551 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.47 -48.98 78.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.883 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.48 -46.39 90.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.0 m -54.69 -43.96 72.97 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.19 -42.0 99.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.689 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -60.13 -49.82 76.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.365 0.603 . . . . 0.0 109.388 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.78 -42.79 94.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.557 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.0 93.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.72 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.67 -42.62 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.652 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.62 -45.58 93.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.485 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.96 -41.88 75.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.01 -41.5 98.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.857 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.86 93.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.701 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.63 -28.82 69.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.14 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -80.4 -4.58 54.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.462 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.97 14.61 69.18 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.35 79.23 2.51 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -64.51 -34.73 78.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.676 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.33 83.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.063 0.459 . . . . 0.0 110.742 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.9 79.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.322 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.36 83.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.605 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.35 -42.61 99.54 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.591 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.1 98.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.801 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.36 -42.02 93.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.486 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.543 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.6 mtm -64.01 -40.76 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.633 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.65 -44.97 94.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.84 -41.13 97.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.212 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -61.11 -45.69 93.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.732 ' HE ' HH12 ' A' ' 88' ' ' ARG . 41.2 ttm180 -60.99 -42.23 98.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.323 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.3 -42.24 99.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.158 0.504 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.58 99.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.157 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.551 HD21 ' CB ' ' A' ' 18' ' ' ALA . 91.2 mt -66.06 -39.21 89.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.736 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.41 -42.89 96.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.307 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.6 -39.89 92.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.226 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.51 80.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -62.2 -37.84 86.86 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.061 -0.518 . . . . 0.089999999999999997 110.439 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.02 -43.97 98.1 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.33 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.43 -42.87 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.013 0.435 . . . . 0.0 110.05 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.473 HE22 ' CG1' ' A' ' 59' ' ' ILE . 9.3 tm0? -60.65 -44.27 96.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.239 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -56.7 -42.64 79.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.059999999999999998 110.037 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.76 -38.61 88.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.425 . . . . 0.0 110.58 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.409 HD11 HG11 ' A' ' 7' ' ' VAL . 97.1 mt -63.94 -29.15 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.685 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.473 ' CG1' HE22 ' A' ' 55' ' ' GLN . 95.9 mt -88.47 -32.13 5.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.050000000000000003 110.812 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -83.1 -7.54 59.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.09 131.79 48.47 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.511 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 57.5 t0 -90.64 -1.51 57.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.593 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.46 54.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.554 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.29 124.28 7.27 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 67' ' ' LYS . 97.3 mt-10 -95.7 111.95 23.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.84 0.352 . . . . 0.0 110.657 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.19 -20.89 0.54 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.549 ' H ' ' C ' ' A' ' 65' ' ' GLU . 63.7 pttt -101.22 140.29 35.71 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.671 0.272 . . . . 0.0 110.46 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 76.9 mtm -94.38 -92.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -106.24 -46.99 3.92 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.803 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.402 HG11 ' HB2' ' B' ' 76' ' ' HIS . 21.6 t -102.37 123.17 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.709 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 75' ' ' VAL . 5.7 p -129.97 162.28 29.02 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 72' ' ' LEU . 31.3 mt -58.05 -44.54 87.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.619 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.613 HG13 HG21 ' A' ' 8' ' ' VAL . 71.3 t -65.83 -47.02 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.904 0.383 . . . . 0.0 110.595 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.5 -43.18 94.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.206 -0.452 . . . . 0.11 110.884 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 71' ' ' SER . 54.0 t -60.94 -47.84 91.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.753 -0.658 . . . . 0.38 110.218 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.42 -46.14 89.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.778 0.323 . . . . 0.0 110.317 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.77 90.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.466 -0.333 . . . . 0.059999999999999998 110.607 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -61.59 -38.43 87.52 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0900000000000001 110.159 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.555 ' O ' HG23 ' A' ' 83' ' ' THR . 33.2 tp -56.78 -47.59 79.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.403 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.521 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 51.0 m80 -68.09 -47.54 67.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.277 -0.419 . . . . 0.080000000000000002 110.703 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.18 -47.09 87.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.865 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.76 -42.89 99.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.217 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 79' ' ' LEU . 19.2 p -63.5 -45.56 90.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.068 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.98 -47.45 84.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.387 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.55 -46.92 83.33 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.545 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.99 -44.38 96.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.077 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.07 80.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.871 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.732 HH12 ' HE ' ' A' ' 45' ' ' ARG . 71.4 ttp85 -58.4 -44.78 89.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.186 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.5 mt-10 -61.53 -43.48 98.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.115 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.6 mt -64.47 -43.45 94.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.177 0.513 . . . . 0.0 109.767 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.532 HD12 ' HB1' ' A' ' 22' ' ' ALA . 81.1 mt -60.93 -42.49 92.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.224 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 m -58.03 -46.26 85.61 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.517 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.7 mt-10 -63.2 -43.31 98.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.607 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 23.1 mt -59.06 -43.25 91.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.324 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.543 HD12 ' SD ' ' A' ' 41' ' ' MET . 85.9 mt -61.03 -42.87 94.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.537 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -61.38 -39.86 92.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.582 HD21 ' NE2' ' B' ' 98' ' ' HIS . 39.2 mt -62.42 -42.22 99.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.835 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -60.88 -39.8 90.62 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 103' ' ' ALA . 81.8 tt0 -64.01 -38.25 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.184 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -63.85 -40.71 97.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.218 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.81 -41.77 97.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.417 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -93.28 -5.83 48.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.524 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.587 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -57.82 -36.11 71.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.512 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 6' ' ' GLU . 96.8 mt-10 -58.81 -76.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.45 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.657 ' O ' HG23 ' B' ' 8' ' ' VAL . 61.3 mt -37.93 -38.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.467 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.02 -46.87 79.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 1.9399999999999999 110.393 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.0 tt0 -67.22 -36.15 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.23 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.408 HG11 HD11 ' B' ' 58' ' ' LEU . 82.4 t -64.06 -42.22 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.277 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 4' ' ' LEU . 70.7 t -60.35 -44.61 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.866 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.25 -40.89 87.39 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.522 -0.548 . . . . 0.17999999999999999 109.522 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.49 -42.27 97.59 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.86 -42.67 99.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.354 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.24 -44.03 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.933 -0.576 . . . . 0.28999999999999998 109.711 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -44.49 98.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.916 -0.583 . . . . 0.02 109.98 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.83 -46.3 91.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.844 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -60.11 -43.53 95.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.159 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.13 99.09 Favored Glycine 0 C--N 1.332 0.352 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.2 -42.38 99.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.552 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.66 -48.65 80.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.866 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.63 -46.49 90.08 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 69.6 m -54.69 -43.64 72.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.37 -42.45 98.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.733 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.8 -49.85 76.12 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.427 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.0 m-85 -59.77 -42.72 93.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.596 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.63 93.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.62 91.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.617 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.42 -45.92 92.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.347 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -55.63 -42.33 74.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -61.63 -41.55 97.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.813 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.88 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.719 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.88 -28.48 69.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.068 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -80.58 -4.95 55.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.432 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.27 14.34 69.05 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.06 79.37 2.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.765 0.316 . . . . 0.0 110.289 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -64.83 -34.73 79.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.61 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.58 82.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.04 0.448 . . . . 0.0 110.781 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.19 80.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.366 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.37 83.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.608 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.02 -43.0 99.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 110.633 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.23 98.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.644 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.3 -42.23 93.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.531 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.6 mtm -63.69 -40.62 97.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.558 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.85 -44.96 94.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.496 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.89 -40.8 97.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.243 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 41.8 t -61.56 -45.45 94.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.736 ' HE ' HH12 ' B' ' 88' ' ' ARG . 41.3 ttm180 -61.38 -42.26 98.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.261 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.74 -42.81 99.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 110.643 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.58 99.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.135 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.552 HD21 ' CB ' ' B' ' 18' ' ' ALA . 91.6 mt -66.28 -39.22 89.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.749 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.39 -42.45 95.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.331 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.99 -40.16 90.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.16 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.74 -44.68 80.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.422 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.26 -37.75 86.66 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.089999999999999997 110.294 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.02 -44.0 98.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 68.1 t -66.5 -42.76 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.043 0.449 . . . . 0.0 110.049 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.48 HE22 ' CG1' ' B' ' 59' ' ' ILE . 9.2 tm0? -60.66 -44.26 96.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.242 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -56.82 -42.66 79.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.059999999999999998 110.018 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.71 -38.52 88.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 0.0 110.54 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.408 HD11 HG11 ' B' ' 7' ' ' VAL . 97.2 mt -64.02 -28.94 70.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.733 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.48 ' CG1' HE22 ' B' ' 55' ' ' GLN . 96.1 mt -88.78 -32.29 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.040000000000000001 110.779 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -83.13 -6.92 59.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.49 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.71 131.46 46.51 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.51 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 57.9 t0 -90.63 -1.46 57.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 110.524 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.56 54.51 1.36 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.436 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.26 124.24 7.25 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.535 ' C ' ' H ' ' B' ' 67' ' ' LYS . 97.5 mt-10 -95.62 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 0.0 110.598 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.37 -21.08 0.55 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' B' ' 65' ' ' GLU . 63.9 pttt -101.32 140.77 35.16 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.618 0.247 . . . . 0.0 110.454 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 76.9 mtm -94.7 -91.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.638 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -107.34 -46.36 3.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.787 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.407 HG11 ' HB2' ' C' ' 76' ' ' HIS . 17.8 t -103.47 122.17 55.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.817 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.492 ' O ' HG23 ' B' ' 75' ' ' VAL . 10.0 p -129.04 163.77 24.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.519 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 72' ' ' LEU . 34.8 mt -60.04 -44.7 94.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.633 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.605 HG13 HG21 ' B' ' 8' ' ' VAL . 67.6 t -64.39 -46.89 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.625 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.4 -43.05 95.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.126 0.489 . . . . 0.11 111.013 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 71' ' ' SER . 53.0 t -60.89 -47.68 92.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.781 -0.645 . . . . 0.38 110.309 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.441 ' O ' ' HD2' ' B' ' 80' ' ' HIS . 37.1 t-80 -59.46 -46.36 88.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.828 -0.349 . . . . 1.1100000000000001 110.346 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.91 90.13 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.928 0.394 . . . . 0.059999999999999998 110.448 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -61.25 -38.7 87.62 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.146 -0.479 . . . . 1.0900000000000001 110.194 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.564 ' O ' HG23 ' B' ' 83' ' ' THR . 33.5 tp -56.97 -47.31 81.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.403 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.441 ' HD2' ' O ' ' B' ' 76' ' ' HIS . 32.7 m-70 -68.13 -47.45 68.08 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.821 -0.352 . . . . 0.080000000000000002 110.705 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.36 -47.0 87.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.856 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.66 -43.04 99.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.246 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 79' ' ' LEU . 19.6 p -63.39 -45.33 91.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.192 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -62.1 -47.28 85.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.86 -46.86 84.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.482 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.67 -44.8 96.27 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.44 79.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.935 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.736 HH12 ' HE ' ' B' ' 45' ' ' ARG . 71.9 ttp85 -57.83 -45.01 86.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.252 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.408 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -61.53 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.176 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.42 -43.16 95.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 110.01 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.526 HD12 ' HB1' ' B' ' 22' ' ' ALA . 82.2 mt -61.12 -42.52 93.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.237 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 71.2 m -58.02 -46.12 85.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.041 0.448 . . . . 0.0 109.828 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.505 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.9 mt-10 -63.43 -42.91 98.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.45 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.553 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 23.4 mt -59.5 -43.26 93.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.531 HD12 ' SD ' ' B' ' 41' ' ' MET . 85.3 mt -60.95 -43.04 95.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.55 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -61.07 -40.13 92.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.733 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.589 HD21 ' NE2' ' C' ' 98' ' ' HIS . 37.6 mt -62.35 -42.02 99.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.803 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.582 ' NE2' HD21 ' A' ' 97' ' ' LEU . 67.7 m80 -61.0 -40.07 92.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.582 ' O ' ' N ' ' B' ' 103' ' ' ALA . 81.4 tt0 -63.65 -38.78 92.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.094 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.48 -40.71 97.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.197 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.75 -42.07 97.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.344 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -93.09 -5.96 49.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.582 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.6 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -57.33 -35.79 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.647 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.8 mt-10 -59.04 -76.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.666 ' O ' HG23 ' C' ' 8' ' ' VAL . 61.5 mt -38.1 -38.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.475 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.83 -46.71 80.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.836 0.35 . . . . 1.9399999999999999 110.443 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.3 tt0 -67.41 -36.45 81.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.305 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.58 -42.03 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.666 HG23 ' O ' ' C' ' 4' ' ' LEU . 73.4 t -60.7 -44.42 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.001 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.34 -41.4 89.1 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.601 -0.518 . . . . 0.17999999999999999 109.601 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.92 -42.33 98.38 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.71 -42.77 99.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.394 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.4 -43.6 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.29999999999999999 109.713 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.87 -44.09 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.066 -0.515 . . . . 0.02 110.031 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.32 -45.91 92.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.765 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -60.5 -43.63 96.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.232 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.34 98.84 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -62.73 -43.12 99.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.559 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.7 -49.65 75.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.99 -46.66 88.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.0 m -54.3 -44.58 72.08 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.49 -42.49 99.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.754 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.531 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.7 -50.18 74.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.408 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.41 -43.13 93.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.561 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.67 92.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.668 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.37 90.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.564 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.73 -45.77 92.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.464 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -55.95 -41.74 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.31 -40.93 97.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.874 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.6 94.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.822 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.15 -28.57 69.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.062 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -80.48 -4.92 55.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.417 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.34 14.53 68.48 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -98.48 79.24 2.48 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.6 -34.89 79.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.579 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.12 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.713 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.1 79.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -47.23 83.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.488 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.07 -43.23 99.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.611 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.16 99.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.768 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.38 -41.98 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.542 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.528 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.2 mtm -63.91 -40.95 97.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.644 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.56 -44.98 94.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.77 -40.82 97.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.279 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -61.64 -45.44 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.562 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.714 ' HE ' HH12 ' C' ' 88' ' ' ARG . 41.6 ttm180 -61.15 -42.24 98.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.96 0.409 . . . . 0.0 110.351 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.89 -42.85 99.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.349 0.595 . . . . 0.0 110.531 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.4 99.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.379 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.559 HD21 ' CB ' ' C' ' 18' ' ' ALA . 92.3 mt -66.48 -39.29 88.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.752 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.37 -42.83 96.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.396 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.68 -40.18 92.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.038 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.17 80.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.474 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.558 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.6 t-80 -61.71 -38.04 86.38 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.932 -0.576 . . . . 0.089999999999999997 110.328 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 53' ' ' LEU . 37.1 mt -60.88 -44.16 97.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.29 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.15 -42.86 92.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.044 0.449 . . . . 0.0 109.997 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.481 HE22 ' CG1' ' C' ' 59' ' ' ILE . 9.2 tm0? -60.88 -44.25 97.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.225 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.747 HG21 HG22 ' D' ' 356' ' ' THR . 19.0 m -56.71 -42.46 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.059999999999999998 110.173 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.99 -38.55 88.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.496 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.75 -29.25 70.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.794 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.481 ' CG1' HE22 ' C' ' 55' ' ' GLN . 95.9 mt -88.4 -32.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.059999999999999998 110.861 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.546 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.3 mm-40 -83.35 -7.11 59.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.36 132.29 47.88 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.511 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 58.2 t0 -91.29 -1.45 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.571 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.46 54.61 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.36 124.35 7.31 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' GLU . . . . . 0.552 ' C ' ' H ' ' C' ' 67' ' ' LYS . 97.8 mt-10 -95.62 112.48 24.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 110.609 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.87 -21.19 0.48 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' C' ' 65' ' ' GLU . 64.1 pttt -100.9 140.42 35.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.676 0.274 . . . . 0.0 110.59 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 76.8 mtm -94.44 -91.83 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.58 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.418 ' NZ ' ' CD1' ' D' ' 348' ' ' PHE . 53.6 mtmt -107.06 -46.44 3.91 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 17.6 t -103.08 121.87 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.787 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.504 ' O ' HG23 ' C' ' 75' ' ' VAL . 10.1 p -127.89 166.51 18.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.508 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' C' ' 72' ' ' LEU . 19.2 mt -62.14 -43.65 98.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.696 -177.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' C' ' 8' ' ' VAL . 65.4 t -65.89 -47.33 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 130.13 3.372 . . . . 0.0 110.633 -178.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.63 -42.96 85.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.067 0.46 . . . . 0.11 110.973 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.504 HG23 ' O ' ' C' ' 71' ' ' SER . 54.2 t -60.96 -47.97 91.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.771 -0.65 . . . . 0.40000000000000002 110.23 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.421 ' O ' ' HD2' ' C' ' 80' ' ' HIS . 38.3 t-80 -59.73 -46.61 88.59 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.894 -0.322 . . . . 1.02 110.264 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.9 -45.68 91.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.851 0.357 . . . . 0.059999999999999998 110.374 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 78' ' ' GLN . . . . . 0.404 ' NE2' HD11 ' C' ' 59' ' ' ILE . 84.0 mt-30 -61.35 -38.59 87.5 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.26 -0.427 . . . . 1.0900000000000001 110.276 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.562 ' O ' HG23 ' C' ' 83' ' ' THR . 33.5 tp -56.87 -47.59 80.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.472 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.421 ' HD2' ' O ' ' C' ' 76' ' ' HIS . 33.2 m-70 -67.93 -47.66 68.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 0.080000000000000002 110.749 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.1 -47.16 87.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.822 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.43 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.38 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.562 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -63.24 -45.11 93.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.195 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.13 -47.56 84.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.4 -47.27 82.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.436 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.49 -44.86 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.188 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.25 79.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.869 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.714 HH12 ' HE ' ' C' ' 45' ' ' ARG . 71.5 ttp85 -58.17 -44.84 88.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.219 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.139 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.46 -43.36 94.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 109.97 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.531 HD12 ' HB1' ' C' ' 22' ' ' ALA . 82.3 mt -60.85 -42.69 93.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.4 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.7 m -57.88 -46.07 85.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.442 . . . . 0.0 109.986 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.39 -43.24 98.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.473 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.555 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 22.8 mt -59.09 -43.28 91.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.528 HD12 ' SD ' ' C' ' 41' ' ' MET . 84.7 mt -61.05 -43.07 95.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.631 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.78 -40.3 92.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.148 0.499 . . . . 0.0 109.829 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' C' ' 97' ' ' LEU . 38.4 mt -62.05 -42.33 99.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.885 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.589 ' NE2' HD21 ' B' ' 97' ' ' LEU . 67.8 m80 -60.77 -39.99 90.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.588 ' O ' ' N ' ' C' ' 103' ' ' ALA . 81.4 tt0 -63.67 -39.0 93.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.062 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.21 -40.56 97.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.249 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.01 -41.98 97.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.296 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -93.25 -6.23 48.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.438 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 103' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.446 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.905 0.86 . . . . 0.0 108.881 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.08 36.66 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.31 38.51 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.0 -1.063 . . . . 0.0 109.556 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.13 149.21 28.53 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.28 152.31 19.0 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.025 -1.047 . . . . 0.0 108.364 178.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.76 144.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.72 136.57 37.07 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 122.162 0.982 . . . . 0.0 110.131 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.86 114.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.87 -4.34 19.31 Favored 'General case' 0 C--N 1.265 -3.067 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.42 141.87 86.08 Favored Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 119.612 -1.93 . . . . 0.0 110.612 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.59 -47.6 13.19 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 124.7 3.6 . . . . 0.0 114.184 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.558 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.0 m-20 -102.17 27.49 6.63 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 116.125 -2.23 . . . . 0.0 108.799 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.11 -127.5 27.34 Favored Glycine 0 N--CA 1.497 2.715 0 C-N-CA 117.698 -2.192 . . . . 0.0 109.538 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.556 HD21 HD23 ' D' ' 384' ' ' LEU . 0.8 OUTLIER -130.04 78.06 1.82 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.861 -1.376 . . . . 0.0 109.482 -177.486 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.56 176.38 8.65 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 117.891 -1.524 . . . . 0.0 112.108 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 13.6 p -21.65 -69.58 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.448 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.5 ttt-85 -45.01 -66.16 0.53 Allowed Pre-proline 0 N--CA 1.493 1.709 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.499 -177.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -64.85 -32.16 56.04 Favored 'Trans proline' 0 N--CA 1.485 0.985 0 C-N-CA 121.904 1.736 . . . . 0.0 111.434 176.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.483 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.84 86.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.209 -0.932 . . . . 0.0 109.505 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.95 -39.75 72.41 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -63.91 -39.4 94.08 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 117.965 -1.494 . . . . 0.0 109.493 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.435 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.72 -45.23 93.71 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 122.575 1.178 . . . . 0.0 108.748 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.483 HG23 ' O ' ' D' ' 319' ' ' ALA . 54.5 t -62.72 -42.21 95.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.623 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -63.9 -40.26 96.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.226 -0.921 . . . . 0.0 109.763 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.73 -39.7 80.23 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.381 -0.824 . . . . 0.0 109.617 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.95 91.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.551 -1.343 . . . . 0.0 109.422 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.41 -16.19 44.17 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 121.315 -0.866 . . . . 0.0 113.323 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.88 -10.55 86.08 Favored Glycine 0 N--CA 1.478 1.499 0 O-C-N 119.955 -1.715 . . . . 0.0 109.339 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.49 143.29 32.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.231 -1.746 . . . . 0.0 110.03 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.4 p -75.57 -30.05 59.53 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.229 -0.919 . . . . 0.0 112.325 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.75 158.61 10.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 119.806 -1.809 . . . . 0.0 112.826 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.28 35.36 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 102.807 -3.034 . . . . 0.0 102.807 171.291 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.71 136.52 60.58 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.415 0 O-C-N 121.112 -0.993 . . . . 0.0 109.278 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.93 143.19 50.99 Favored 'General case' 0 C--N 1.284 -2.248 0 CA-C-O 123.091 1.424 . . . . 0.0 109.978 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.0 t -108.04 129.93 61.39 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.744 0 N-CA-C 105.551 -2.018 . . . . 0.0 105.551 173.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.1 m -127.45 119.59 26.46 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.859 -1.151 . . . . 0.0 108.895 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.58 122.6 39.25 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.906 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.5 t30 51.85 38.85 24.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.868 -1.145 . . . . 0.0 112.767 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.02 83.53 Favored Glycine 0 N--CA 1.502 3.056 0 O-C-N 119.972 -1.705 . . . . 0.0 112.588 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.89 136.29 54.56 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.79 158.47 33.27 Favored 'General case' 0 C--N 1.275 -2.646 0 CA-C-O 123.809 1.766 . . . . 0.0 112.467 -176.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.58 151.4 31.5 Favored 'General case' 0 C--N 1.279 -2.493 0 CA-C-N 112.472 -2.149 . . . . 0.0 108.585 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.56 135.88 48.85 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.77 47.44 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.692 -1.255 . . . . 0.0 110.73 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.93 31.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.612 -1.305 . . . . 0.0 109.39 -177.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.8 t -133.1 104.11 6.35 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 122.215 1.007 . . . . 0.0 110.174 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.1 tp -57.17 -37.92 72.82 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.968 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 348' ' ' PHE . . . . . 0.418 ' CD1' ' NZ ' ' C' ' 69' ' ' LYS . 91.4 m-85 -59.03 -51.28 70.74 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.61 -1.306 . . . . 0.0 113.021 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.04 -32.47 70.62 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 119.527 -1.983 . . . . 0.0 109.223 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.7 -33.78 75.8 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.932 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.546 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.7 -10.41 52.19 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.731 -0.606 . . . . 0.0 109.953 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.3 p -89.76 -7.79 53.66 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.965 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.46 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 94.9 mt -93.3 159.27 15.34 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 110.16 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.79 2.96 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 106.889 -2.485 . . . . 0.0 106.889 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.55 47.43 1.71 Allowed 'General case' 0 C--N 1.308 -1.222 0 O-C-N 120.745 -1.444 . . . . 0.0 107.467 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.747 HG22 HG21 ' C' ' 56' ' ' THR . 3.8 p -81.45 172.51 13.43 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.864 -1.134 . . . . 0.0 109.232 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.7 140.92 57.33 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.384 -0.926 . . . . 0.0 109.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.2 78.87 Favored Glycine 0 N--CA 1.5 2.91 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.35 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.41 135.89 34.09 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.919 -1.342 . . . . 0.0 110.641 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.48 123.69 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.484 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.11 160.03 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 C-N-CA 117.474 -1.69 . . . . 0.0 110.702 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.91 128.42 54.91 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 120.519 -1.363 . . . . 0.0 107.571 175.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.94 121.46 60.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 176.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.26 50.72 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -179.555 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.43 47.11 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 118.498 -1.281 . . . . 0.0 109.728 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.73 6.4 Favored 'General case' 0 C--N 1.288 -2.101 0 C-N-CA 118.585 -1.246 . . . . 0.0 108.045 178.241 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.3 40.16 Favored Glycine 0 C--N 1.296 -1.664 0 C-N-CA 118.019 -2.039 . . . . 0.0 110.377 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.59 82.48 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.28 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.07 36.84 3.52 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 115.844 -2.342 . . . . 0.0 108.583 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.44 -33.51 65.93 Favored 'General case' 0 N--CA 1.521 3.095 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -174.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.457 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.66 27.52 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.575 -1.953 . . . . 0.0 110.996 -176.603 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.78 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.5 -40.73 97.84 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.49 77.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 117.475 -1.69 . . . . 0.0 110.018 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.83 -42.19 88.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-O 122.192 0.996 . . . . 0.0 109.323 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.87 -47.87 76.57 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.05 0.929 . . . . 0.0 108.755 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.78 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.81 -38.35 76.57 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.686 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.435 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.4 mt -75.54 -28.69 59.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.385 -1.447 . . . . 0.0 110.853 -174.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.54 -39.4 70.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.414 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.25 62.98 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.33 -45.16 84.57 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.956 -1.098 . . . . 0.0 110.548 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.484 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.42 85.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.864 -1.147 . . . . 0.0 111.526 -177.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.84 61.67 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.113 -0.992 . . . . 0.0 110.224 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 -32.33 46.18 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.544 -0.723 . . . . 0.0 111.377 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.556 HD23 HD21 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.02 125.42 12.07 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 124.32 2.01 . . . . 0.0 112.921 178.634 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.278 -2.543 0 CA-C-N 111.124 -2.762 . . . . 0.0 110.186 -177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.521 ' O2 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.19 -27.68 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.52 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.3 mt-10 -59.29 -31.74 69.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.481 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.0 mt -38.37 -34.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.378 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.26 -47.26 80.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.927 0.394 . . . . 1.9399999999999999 110.266 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.3 tt0 -67.44 -34.84 78.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.19 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.479 HG11 HD11 ' A' ' 58' ' ' LEU . 70.6 t -64.17 -42.71 96.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.359 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 4' ' ' LEU . 91.9 t -60.38 -44.43 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.018 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.1 mtp -59.22 -41.85 89.64 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.532 -0.544 . . . . 0.17999999999999999 109.532 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.02 -42.41 98.21 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 11' ' ' LEU . 35.8 mt -63.56 -42.15 98.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.172 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -44.94 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.20000000000000001 109.811 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.86 -44.45 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.01 109.954 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.56 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.5 t-20 -60.5 -46.36 90.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.851 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.4 m -59.59 -43.81 93.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.967 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.537 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.38 -42.2 99.18 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.01 -42.41 99.82 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.67 -49.13 78.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.883 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -60.2 -45.98 91.3 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -55.1 -44.79 75.23 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.84 -42.57 99.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.728 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.561 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.68 -50.92 72.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.4 -42.48 91.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.578 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.58 90.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.715 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.48 86.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.662 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.28 -44.88 96.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.463 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.31 -42.68 74.02 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.0 -41.79 92.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.756 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.58 91.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.644 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.29 -30.04 70.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.171 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -80.11 -3.51 49.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.46 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.95 12.22 81.48 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -94.89 81.95 3.81 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.754 0.311 . . . . 0.0 110.306 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -64.65 -34.62 78.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.665 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.77 86.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.025 0.441 . . . . 0.0 110.739 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.77 81.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.301 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.05 -47.99 80.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.559 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.51 -43.06 99.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.612 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.44 98.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mmm -66.28 -42.06 88.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.585 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.1 mtm -63.87 -41.55 97.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.611 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.86 -46.32 89.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.02 0.438 . . . . 0.0 110.499 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.43 -40.87 98.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.126 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 41' ' ' MET . 79.4 p -61.28 -46.15 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.508 ' CZ ' ' NH1' ' A' ' 88' ' ' ARG . 62.9 ttm-85 -60.36 -42.61 96.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.296 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.2 mmm -61.48 -42.79 99.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.194 0.521 . . . . 0.0 110.56 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.73 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' A' ' 18' ' ' ALA . 87.6 mt -65.18 -39.83 93.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.09 -42.02 97.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.318 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.58 -39.75 91.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.216 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.12 -44.04 80.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.401 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.16 -37.86 88.91 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.046 -0.525 . . . . 0.089999999999999997 110.38 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.9 mt -61.37 -43.76 98.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.29 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.47 -43.31 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.718 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.37 -42.77 96.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -58.61 -41.74 86.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.059999999999999998 110.062 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.2 -38.81 92.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.943 0.402 . . . . 0.0 110.544 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 7' ' ' VAL . 96.8 mt -64.97 -26.98 68.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.634 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.523 HD11 ' OE1' ' A' ' 55' ' ' GLN . 96.7 mt -83.66 -30.36 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.072 -0.513 . . . . 0.050000000000000003 110.882 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -86.34 -13.45 46.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.458 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.68 67.68 0.55 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -79.37 169.03 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.25 143.09 58.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.497 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.04 -80.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -61.07 127.4 31.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.88 0.371 . . . . 0.0 110.643 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.06 20.16 65.67 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -62.03 135.18 57.42 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.763 0.316 . . . . 0.0 110.425 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.7 mtt -147.98 -164.72 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.666 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -91.58 -52.91 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.605 ' O ' HD21 ' B' ' 72' ' ' LEU . 13.1 m -112.53 132.38 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.684 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.2 p -118.72 154.62 32.46 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.17 -48.8 75.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.616 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 8' ' ' VAL . 54.5 t -62.85 -45.23 99.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.852 0.358 . . . . 0.0 110.521 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.718 ' CD2' HE22 ' A' ' 55' ' ' GLN . 77.8 mt -62.23 -40.52 96.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.077 0.465 . . . . 0.11 110.897 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 71' ' ' SER . 54.5 t -60.68 -48.35 89.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.747 -0.661 . . . . 0.38 110.149 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.69 -46.49 88.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.777 0.322 . . . . 0.0 110.34 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.65 99.51 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.759 0.314 . . . . 0.059999999999999998 110.635 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.4 ' OE1' HD23 ' B' ' 79' ' ' LEU . 52.3 tt0 -62.75 -39.2 93.41 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0900000000000001 110.199 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 83' ' ' THR . 38.0 tp -56.89 -46.26 82.03 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.372 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.524 ' CE1' ' O2 ' ' D' ' 200' ' ' PO3 . 63.3 m170 -67.16 -47.23 71.64 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.678 -0.409 . . . . 0.080000000000000002 110.725 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.27 -44.98 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.841 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -62.03 -43.17 99.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.214 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.1 p -64.59 -46.47 82.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.1 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -62.58 -49.04 76.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.1 ttp -57.95 -48.04 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.552 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.99 -45.26 94.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.117 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -47.76 84.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.843 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.508 ' NH1' ' CZ ' ' A' ' 45' ' ' ARG . 9.0 tmm_? -58.23 -45.96 86.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.065 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.503 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.8 mt-10 -61.4 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.122 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.38 -42.53 96.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.14 0.495 . . . . 0.0 109.84 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.561 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.3 mt -60.85 -42.46 92.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.292 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.8 m -57.99 -46.18 85.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.012 0.434 . . . . 0.0 109.914 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.575 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.0 mt-10 -63.37 -43.22 98.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.563 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 18.1 mt -59.25 -43.05 92.46 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.585 HD12 ' SD ' ' A' ' 41' ' ' MET . 88.8 mt -61.3 -42.46 93.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.559 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -62.54 -39.29 93.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.14 -41.63 98.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.83 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.5 m80 -60.82 -38.99 87.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.457 ' O ' ' O ' ' A' ' 102' ' ' LYS . 84.0 tt0 -62.18 -39.12 91.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.193 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.31 -38.66 90.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.198 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.02 -41.24 97.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.426 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 99' ' ' GLU . 68.6 mttm -92.8 140.38 29.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.489 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.573 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.18 -27.44 68.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.5 mt-10 -59.32 -31.54 69.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.492 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.642 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.7 mt -38.72 -34.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -64.45 -47.33 79.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.967 0.413 . . . . 1.9399999999999999 110.335 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.7 tt0 -67.06 -34.95 78.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.485 HG11 HD11 ' B' ' 58' ' ' LEU . 70.1 t -64.32 -42.58 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.38 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 4' ' ' LEU . 90.7 t -60.64 -44.43 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.88 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.3 mtp -59.14 -41.56 88.59 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.561 -0.533 . . . . 0.17999999999999999 109.561 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.59 97.61 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 11' ' ' LEU . 37.0 mt -63.35 -42.16 98.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.813 0.34 . . . . 0.0 110.347 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.486 HG12 ' HD1' ' B' ' 80' ' ' HIS . 95.9 mt -63.17 -44.98 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.933 -0.576 . . . . 0.28999999999999998 109.751 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.8 -44.43 98.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.993 -0.548 . . . . 0.02 109.884 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.553 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 50.9 t-20 -60.61 -46.19 91.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.763 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 51.2 m -59.62 -43.82 93.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.124 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.52 -41.82 99.11 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.2 -42.38 99.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.83 -49.21 78.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.88 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -60.04 -45.8 91.61 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -55.44 -44.72 76.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.72 -42.53 99.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.709 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.566 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.17 -50.55 73.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.503 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.66 -42.11 92.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.685 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.76 91.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.661 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.68 86.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.628 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.31 -44.91 96.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.302 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.33 -42.7 74.12 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -60.21 -41.36 92.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.868 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.68 92.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.703 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.13 -30.24 70.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.01 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -80.08 -3.32 48.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.8 12.11 81.86 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -94.77 82.07 3.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.844 0.354 . . . . 0.0 110.339 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -64.76 -34.91 79.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.594 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.21 -46.66 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.032 0.444 . . . . 0.0 110.78 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.51 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.45 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.05 79.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.494 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.41 -43.33 99.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.559 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.19 -42.52 99.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mmm -66.31 -42.11 88.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.579 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.9 mtm -63.72 -41.58 98.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.59 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -61.99 -46.29 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.13 -41.02 99.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.341 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' B' ' 41' ' ' MET . 79.0 p -61.16 -46.09 91.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.471 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.526 ' CZ ' ' NH1' ' B' ' 88' ' ' ARG . 62.8 ttm-85 -60.72 -42.15 96.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.279 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.66 -42.85 99.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.244 0.545 . . . . 0.0 110.612 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.38 99.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.175 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' B' ' 18' ' ' ALA . 87.1 mt -65.61 -39.53 91.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.751 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.34 -41.84 97.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.364 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.9 -39.43 90.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.169 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.553 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.18 -44.17 80.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.441 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.23 -37.9 89.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.089999999999999997 110.381 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.33 -43.65 98.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.48 -43.25 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.076 0.465 . . . . 0.0 110.019 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.709 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.49 -42.54 96.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -58.87 -41.89 88.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.059999999999999998 109.961 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -39.12 93.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.404 . . . . 0.0 110.554 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.485 HD11 HG11 ' B' ' 7' ' ' VAL . 96.9 mt -64.72 -27.11 68.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.711 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.537 HD11 ' OE1' ' B' ' 55' ' ' GLN . 96.7 mt -83.42 -30.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.067 -0.515 . . . . 0.040000000000000001 110.805 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -86.41 -13.78 45.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.49 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.09 67.79 0.54 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -79.7 169.09 18.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.514 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.37 143.29 57.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.21 -81.1 0.06 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.09 127.34 31.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 0.0 110.578 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.22 20.59 64.39 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -62.27 135.37 57.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.616 0.246 . . . . 0.0 110.464 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 65.5 mtt -148.27 -164.98 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.653 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -91.8 -52.52 4.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.611 ' O ' HD21 ' C' ' 72' ' ' LEU . 15.4 m -113.1 132.06 63.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.802 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.611 ' O ' HG23 ' B' ' 75' ' ' VAL . 7.0 p -118.17 157.43 26.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.534 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.605 HD21 ' O ' ' A' ' 70' ' ' VAL . 60.5 tp -59.36 -48.21 82.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.605 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.446 HG13 HG21 ' B' ' 8' ' ' VAL . 55.9 t -62.33 -45.06 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.594 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.709 ' CD2' HE22 ' B' ' 55' ' ' GLN . 76.6 mt -62.12 -40.75 96.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.169 0.509 . . . . 0.11 110.969 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 71' ' ' SER . 53.6 t -60.31 -47.98 90.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.264 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.447 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 61.4 t60 -59.03 -47.25 85.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.886 -0.326 . . . . 1.1100000000000001 110.309 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.62 99.59 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.916 0.389 . . . . 0.059999999999999998 110.461 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' C' ' 76' ' ' HIS . 52.3 tt0 -62.59 -39.24 93.11 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0900000000000001 110.229 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.45 ' O ' HG23 ' B' ' 83' ' ' THR . 38.0 tp -57.03 -45.94 82.74 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.393 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.486 ' HD1' HG12 ' B' ' 12' ' ' ILE . 63.4 m170 -67.54 -46.89 71.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.322 -0.399 . . . . 0.080000000000000002 110.69 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.46 -45.15 95.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.859 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -61.81 -43.48 98.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.248 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -64.3 -46.45 83.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.108 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -62.66 -48.86 77.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -58.19 -47.9 81.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.484 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.94 -45.38 93.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.59 84.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.905 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.526 ' NH1' ' CZ ' ' B' ' 45' ' ' ARG . 8.9 tmm_? -58.52 -45.55 88.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.258 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.447 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.4 mt-10 -61.66 -42.98 99.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.165 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.73 -42.33 95.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.076 0.465 . . . . 0.0 109.966 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.566 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.1 mt -61.08 -42.55 93.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.159 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.0 m -57.87 -46.22 85.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.009 0.433 . . . . 0.0 109.888 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.579 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.7 mt-10 -63.37 -43.14 98.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.506 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.575 HD13 ' OE1' ' A' ' 93' ' ' GLU . 18.5 mt -59.32 -43.09 92.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.579 HD12 ' SD ' ' B' ' 41' ' ' MET . 89.0 mt -61.47 -42.54 94.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.507 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -62.33 -39.25 92.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.17 -41.58 98.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.916 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 68.6 m80 -60.84 -38.97 87.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.754 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' B' ' 102' ' ' LYS . 84.6 tt0 -62.26 -39.31 92.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.108 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.02 -39.12 92.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.177 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.43 -41.8 98.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.377 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' B' ' 99' ' ' GLU . 68.5 mttm -92.69 140.42 29.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.6 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.511 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.37 -27.66 68.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.62 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.8 mt-10 -59.22 -31.41 69.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.343 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.657 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.6 mt -38.66 -34.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.423 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -64.46 -47.22 79.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 1.9399999999999999 110.328 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' C' ' 3' ' ' GLU . 81.6 tt0 -67.42 -34.62 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.314 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.471 HG11 HD11 ' C' ' 58' ' ' LEU . 70.5 t -64.54 -42.12 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.429 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.657 HG23 ' O ' ' C' ' 4' ' ' LEU . 91.0 t -61.12 -44.51 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.002 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.2 mtp -58.99 -42.02 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.555 -0.535 . . . . 0.17999999999999999 109.555 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -42.77 98.52 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' C' ' 11' ' ' LEU . 37.1 mt -63.19 -42.3 99.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.911 0.386 . . . . 0.0 110.401 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.494 HG12 ' HD1' ' C' ' 80' ' ' HIS . 96.2 mt -63.0 -44.88 99.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 0.29999999999999999 109.67 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.81 -44.25 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.055 -0.52 . . . . 0.02 109.993 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.542 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.7 t-20 -60.87 -46.3 91.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.813 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 51.7 m -59.45 -43.69 93.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.227 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.04 98.88 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.21 -42.24 99.26 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.492 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.69 -49.32 78.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.764 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -60.08 -46.08 90.75 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -55.13 -44.96 75.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 21' ' ' LEU . 87.5 mt -62.46 -42.72 99.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.69 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.55 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.95 -50.93 72.19 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.447 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.0 m-85 -59.36 -42.52 91.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.52 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.7 90.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.51 85.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.627 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.42 -44.92 96.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.338 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.34 -42.7 74.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.1 -41.51 92.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.878 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.92 91.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.839 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.13 -30.17 70.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.097 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -79.83 -3.76 49.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.428 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.1 12.04 81.54 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -94.56 82.43 3.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.792 0.33 . . . . 0.0 110.293 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -65.27 -34.47 78.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.518 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.38 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.064 0.459 . . . . 0.0 110.753 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.53 80.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.345 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.28 -48.06 79.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.527 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.3 -43.4 98.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.583 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.67 99.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.78 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.8 mmm -66.06 -42.06 89.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.582 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.6 mtm -63.9 -41.65 97.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.646 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.81 -46.4 89.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.476 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.09 -41.11 99.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.286 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.2 p -61.0 -46.2 91.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.476 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.517 ' CZ ' ' NH1' ' C' ' 88' ' ' ARG . 63.0 ttm-85 -60.57 -42.23 96.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.334 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.66 -42.81 99.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.323 0.582 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.39 99.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.362 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.492 HD21 ' CB ' ' C' ' 18' ' ' ALA . 87.4 mt -65.65 -39.44 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.726 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.77 -41.5 97.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.315 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.92 -39.66 90.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.024 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.542 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.2 -44.63 79.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.37 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.44 ' CD2' ' HA ' ' D' ' 312' ' ' ASN . 82.1 t60 -62.58 -37.82 87.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.089999999999999997 110.305 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -61.54 -43.56 98.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.808 0.337 . . . . 0.0 110.328 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.39 -43.44 94.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.996 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.731 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -60.39 -42.81 96.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.226 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 56' ' ' THR . . . . . 1.027 HG21 HG22 ' D' ' 356' ' ' THR . 18.3 m -58.63 -41.92 87.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.059999999999999998 110.159 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.98 -39.03 93.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.522 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.471 HD11 HG11 ' C' ' 7' ' ' VAL . 96.8 mt -64.77 -26.97 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.822 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.549 HD11 ' OE1' ' C' ' 55' ' ' GLN . 96.7 mt -83.51 -30.23 7.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.059999999999999998 110.819 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.539 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.3 mm-40 -86.61 -13.59 45.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.23 67.53 0.55 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -79.33 169.29 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.561 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.61 143.39 57.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.37 -80.98 0.06 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.04 127.52 31.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.56 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 20.65 64.74 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -62.08 135.2 57.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.635 0.255 . . . . 0.0 110.497 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 65.3 mtt -148.33 -164.84 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.04 -52.17 4.84 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 15.2 m -113.35 132.07 63.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.704 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.613 ' O ' HG23 ' C' ' 75' ' ' VAL . 7.3 p -117.66 159.41 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.544 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.611 HD21 ' O ' ' B' ' 70' ' ' VAL . 54.4 tp -59.02 -48.38 81.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.728 -177.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.465 HG13 HG21 ' C' ' 8' ' ' VAL . 54.6 t -63.87 -45.15 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 130.108 3.363 . . . . 0.0 110.627 -178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.731 ' CD2' HE22 ' C' ' 55' ' ' GLN . 78.0 mt -64.29 -40.26 95.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.13 0.491 . . . . 0.11 110.933 177.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.613 HG23 ' O ' ' C' ' 71' ' ' SER . 53.2 t -60.84 -48.43 88.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.788 -0.642 . . . . 0.40000000000000002 110.165 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.435 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 61.9 t60 -59.04 -47.39 85.38 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.926 -0.31 . . . . 1.02 110.362 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.34 99.58 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.841 0.353 . . . . 0.059999999999999998 110.423 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' GLN . . . . . 0.4 ' OE1' ' O1 ' ' D' ' 200' ' ' PO3 . 18.5 tt0 -62.79 -39.21 93.51 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.198 -0.455 . . . . 1.0900000000000001 110.204 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.442 ' O ' HG23 ' C' ' 83' ' ' THR . 36.7 tp -56.86 -46.41 81.79 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.551 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.494 ' HD1' HG12 ' C' ' 12' ' ' ILE . 63.2 m170 -66.98 -47.34 71.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.405 . . . . 0.080000000000000002 110.761 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.07 -45.29 95.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.845 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.68 -43.43 98.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.355 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.442 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.9 p -64.32 -46.62 82.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.241 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.8 t -62.46 -48.56 79.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -58.47 -47.91 82.51 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.503 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.87 -45.08 95.32 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.181 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.87 83.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.869 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.517 ' NH1' ' CZ ' ' C' ' 45' ' ' ARG . 8.9 tmm_? -58.25 -45.7 87.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.238 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.27 -43.52 98.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.197 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.4 -42.45 96.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 109.949 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.55 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.7 mt -60.83 -42.45 92.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.351 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.5 m -58.24 -45.61 87.43 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.586 -0.445 . . . . 0.0 109.966 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.94 -43.0 97.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.508 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.579 HD13 ' OE1' ' B' ' 93' ' ' GLU . 18.7 mt -59.25 -43.06 92.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.582 HD12 ' SD ' ' C' ' 41' ' ' MET . 88.5 mt -61.38 -42.66 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.588 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.2 -39.16 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.31 -41.55 98.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.863 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.7 m80 -60.86 -39.21 88.26 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.8 tt0 -61.97 -39.53 92.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.077 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.87 -39.06 92.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.235 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.53 -41.7 98.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.305 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' C' ' 99' ' ' GLU . 68.5 mttm -92.73 140.22 29.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.557 179.838 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 121.913 0.863 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.8 143.0 36.66 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.01 156.27 38.51 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.073 -1.017 . . . . 0.0 109.576 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.08 149.24 28.6 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.26 152.37 18.93 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.03 -1.044 . . . . 0.0 108.407 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.91 144.37 19.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.3 m -96.66 136.63 36.92 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 122.085 0.945 . . . . 0.0 110.116 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.94 114.32 24.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.9 -4.3 19.31 Favored 'General case' 0 C--N 1.264 -3.115 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.81 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.84 85.88 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 119.718 -1.864 . . . . 0.0 110.593 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.51 -47.64 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 124.652 3.568 . . . . 0.0 114.198 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.44 ' HA ' ' CD2' ' C' ' 52' ' ' HIS . 99.4 m-20 -102.15 27.57 6.55 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 116.061 -2.256 . . . . 0.0 108.763 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.44 -121.42 15.24 Favored Glycine 0 N--CA 1.495 2.607 0 C-N-CA 117.729 -2.176 . . . . 0.0 109.637 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.725 HD11 HD23 ' D' ' 384' ' ' LEU . 3.3 tp -135.06 75.48 1.57 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.995 -1.297 . . . . 0.0 109.517 -176.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -83.47 175.64 9.66 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 117.879 -1.529 . . . . 0.0 112.161 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.7 p -21.8 -71.31 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 -176.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.537 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 14.7 ttt-85 -43.37 -66.63 0.42 Allowed Pre-proline 0 N--CA 1.493 1.676 0 C-N-CA 120.211 -0.596 . . . . 0.0 112.483 -177.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.52 -32.24 59.56 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.394 1.396 . . . . 0.0 111.516 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.528 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.84 86.78 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.227 -0.921 . . . . 0.0 109.473 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.76 72.55 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.96 -39.4 94.06 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 117.993 -1.483 . . . . 0.0 109.48 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.71 -45.24 93.67 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 122.559 1.171 . . . . 0.0 108.726 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.528 HG23 ' O ' ' D' ' 319' ' ' ALA . 71.3 t -62.67 -42.28 95.45 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.25 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.631 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -63.9 -40.25 96.07 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 109.768 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.83 -39.63 79.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.486 -0.759 . . . . 0.0 109.589 177.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.95 92.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.607 -1.308 . . . . 0.0 109.403 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.3 -16.24 43.78 Favored 'General case' 0 N--CA 1.51 2.571 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.53 86.15 Favored Glycine 0 N--CA 1.478 1.462 0 O-C-N 119.881 -1.762 . . . . 0.0 109.284 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 93.0 m-85 -103.55 143.41 32.77 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.251 -1.735 . . . . 0.0 109.963 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.9 p -75.6 -30.08 59.46 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.25 -0.906 . . . . 0.0 112.338 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.64 9.99 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 119.88 -1.762 . . . . 0.0 112.787 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.04 130.31 35.38 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 171.225 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.76 136.62 60.26 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.391 0 CA-C-O 122.252 1.025 . . . . 0.0 109.238 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.94 143.2 51.0 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-O 123.067 1.413 . . . . 0.0 109.969 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.6 t -108.17 129.96 61.55 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.723 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 173.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.4 m -127.46 119.6 26.48 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.776 -1.202 . . . . 0.0 108.953 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.59 122.58 39.18 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.568 -0.708 . . . . 0.0 109.864 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.79 38.89 24.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.828 -1.17 . . . . 0.0 112.754 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.08 83.46 Favored Glycine 0 N--CA 1.502 3.094 0 O-C-N 119.97 -1.706 . . . . 0.0 112.502 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.87 136.24 54.57 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.8 158.49 33.24 Favored 'General case' 0 C--N 1.275 -2.637 0 CA-C-O 123.76 1.743 . . . . 0.0 112.429 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.6 151.4 31.48 Favored 'General case' 0 C--N 1.278 -2.516 0 CA-C-N 112.477 -2.147 . . . . 0.0 108.598 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.59 135.93 48.83 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.99 -6.72 47.32 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.711 -1.243 . . . . 0.0 110.709 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.53 12.99 31.54 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.652 -1.28 . . . . 0.0 109.356 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 90.6 p -133.12 104.16 6.37 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.171 0.986 . . . . 0.0 110.118 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.22 -37.89 72.91 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.011 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -58.91 -51.3 70.61 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.604 -1.31 . . . . 0.0 113.085 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -70.17 -32.37 70.29 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 119.614 -1.929 . . . . 0.0 109.197 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.81 -33.76 75.88 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.923 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.539 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.63 -10.44 52.23 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.698 -0.626 . . . . 0.0 109.963 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 43.0 p -89.82 -7.73 53.67 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 118.061 -1.456 . . . . 0.0 110.885 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.31 159.31 15.32 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.236 -0.915 . . . . 0.0 110.129 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.8 2.96 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 106.873 -2.491 . . . . 0.0 106.873 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.5 47.31 1.73 Allowed 'General case' 0 C--N 1.309 -1.178 0 O-C-N 120.711 -1.464 . . . . 0.0 107.454 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 356' ' ' THR . . . . . 1.027 HG22 HG21 ' C' ' 56' ' ' THR . 2.7 p -81.36 172.51 13.48 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 118.816 -1.153 . . . . 0.0 109.251 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.64 140.84 57.29 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.828 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.24 78.82 Favored Glycine 0 N--CA 1.5 2.935 0 C-N-CA 120.068 -1.063 . . . . 0.0 111.36 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.4 135.88 34.09 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.906 -1.349 . . . . 0.0 110.635 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.48 123.74 48.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.484 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.23 160.09 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.598 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.91 128.4 54.89 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.509 -1.37 . . . . 0.0 107.545 175.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.87 121.43 60.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.66 147.22 50.73 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 118.524 -1.27 . . . . 0.0 109.758 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.28 110.73 6.37 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 118.566 -1.254 . . . . 0.0 108.05 178.195 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.2 40.13 Favored Glycine 0 C--N 1.296 -1.663 0 C-N-CA 118.018 -2.039 . . . . 0.0 110.434 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.42 -40.62 82.97 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 114.474 -0.863 . . . . 0.0 112.167 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.04 36.76 3.56 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 115.919 -2.312 . . . . 0.0 108.537 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.36 -33.59 65.82 Favored 'General case' 0 N--CA 1.522 3.175 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.452 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.64 27.64 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 119.629 -1.919 . . . . 0.0 110.975 -176.51 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.71 97.77 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.52 77.55 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.477 -1.689 . . . . 0.0 109.985 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.75 -42.27 89.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-O 122.275 1.036 . . . . 0.0 109.257 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.95 -47.83 76.88 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-O 121.993 0.901 . . . . 0.0 108.697 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.83 -38.25 76.46 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.751 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' D' ' 377' ' ' LEU . 79.8 mt -75.67 -28.59 58.77 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.329 -1.482 . . . . 0.0 110.854 -174.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.56 -39.35 70.11 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.423 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -68.02 -49.2 62.95 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.25 84.28 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.496 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.484 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.31 85.27 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.874 -1.141 . . . . 0.0 111.548 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.81 61.59 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.103 -0.998 . . . . 0.0 110.289 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.28 45.83 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.565 -0.709 . . . . 0.0 111.358 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.725 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.05 125.54 12.39 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 124.314 2.007 . . . . 0.0 112.868 178.663 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.81 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 96.1 mt-10 . . . . . 0 C--N 1.278 -2.529 0 CA-C-N 111.116 -2.765 . . . . 0.0 110.116 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.524 ' O2 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.94 -36.37 72.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' GLU . 83.7 tt0 -58.5 -76.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.477 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 8' ' ' VAL . 94.3 mt -37.87 -38.45 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.88 -46.77 80.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.909 0.385 . . . . 1.9399999999999999 110.281 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.8 tt0 -68.15 -36.63 79.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.276 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.44 HG11 HD11 ' A' ' 58' ' ' LEU . 97.2 t -63.22 -42.55 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.411 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 4' ' ' LEU . 70.0 t -60.73 -43.75 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.963 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.454 ' CE ' HD22 ' D' ' 347' ' ' LEU . 91.6 mtp -59.01 -41.75 88.48 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.559 -0.534 . . . . 0.17999999999999999 109.559 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.48 -41.25 98.05 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD13 ' OE1' ' A' ' 55' ' ' GLN . 83.5 mt -62.85 -43.16 99.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.145 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.76 -44.41 99.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.057 -0.52 . . . . 0.20000000000000001 109.738 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.521 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.0 mt -63.78 -44.64 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.01 109.992 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.74 -46.93 88.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.782 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -59.64 -43.74 93.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.972 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.26 99.71 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.4 mm-40 -64.13 -42.36 96.86 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.17 -49.82 76.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.837 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.619 HH12 ' HB2' ' A' ' 87' ' ' ALA . 62.9 ttm-85 -60.44 -46.95 88.2 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.1 p -54.82 -44.18 73.63 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.6 -42.43 98.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.708 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.6 -51.2 70.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.46 -42.5 92.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.605 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.98 92.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.809 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.89 89.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.683 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.24 -45.13 95.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.476 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -56.09 -41.87 75.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.02 -42.09 97.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.783 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.9 93.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.8 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.59 -29.44 70.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.103 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -80.59 -4.43 54.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.519 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 14.6 69.92 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.21 79.43 2.56 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.797 0.332 . . . . 0.0 110.266 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -64.63 -34.52 78.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.696 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -48.16 80.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.026 0.441 . . . . 0.0 110.803 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.81 82.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.416 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.89 81.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.35 -42.18 99.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.649 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.1 98.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.772 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.5 mmm -65.11 -40.19 94.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.487 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.596 ' HE1' HG23 ' A' ' 92' ' ' THR . 91.8 mtp -63.25 -41.23 99.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.587 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.41 -44.64 96.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 0.0 110.521 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -63.32 -41.77 98.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.243 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.2 m -60.36 -46.54 89.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.523 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 71.5 ttt180 -60.22 -42.78 95.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.237 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.4 ttp -60.74 -43.97 97.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.197 0.522 . . . . 0.0 110.553 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.68 97.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.148 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.469 HD21 ' CB ' ' A' ' 18' ' ' ALA . 92.6 mt -65.55 -40.54 92.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.639 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.06 -42.57 98.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.176 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.26 -40.02 93.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.205 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -45.66 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.45 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -61.05 -39.48 89.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.058 -0.519 . . . . 0.089999999999999997 110.443 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.6 mt -60.34 -44.4 95.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.313 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.21 -42.87 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.066 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.457 HE22 HD23 ' A' ' 74' ' ' LEU . 68.1 tp60 -60.39 -43.63 96.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.248 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 92.5 m -57.03 -43.36 81.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.059999999999999998 110.019 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.87 -39.37 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.599 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.44 HD11 HG11 ' A' ' 7' ' ' VAL . 97.8 mt -64.65 -30.31 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.67 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.407 ' CG1' HD22 ' A' ' 74' ' ' LEU . 96.5 mt -85.5 -32.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.050000000000000003 110.775 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -84.89 -6.65 59.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.49 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.27 115.0 0.64 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.544 ' CG ' ' H ' ' A' ' 63' ' ' ALA . 67.3 t0 -158.09 -124.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.673 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.544 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . -65.47 145.3 56.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.49 -76.47 1.33 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.13 124.39 22.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 110.69 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.15 28.78 73.22 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -54.57 124.28 15.75 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.648 0.261 . . . . 0.0 110.492 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -107.27 137.48 45.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.567 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.97 -44.5 96.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG11 ' CB ' ' B' ' 76' ' ' HIS . 3.4 m -110.52 129.56 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.724 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 75' ' ' VAL . 83.9 p -131.51 164.74 25.13 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 115.23 1.566 . . . . 0.0 115.23 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 72' ' ' LEU . 36.4 mt -57.74 -46.14 84.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.642 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' A' ' 8' ' ' VAL . 78.2 t -65.64 -48.08 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.547 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.457 HD23 HE22 ' A' ' 55' ' ' GLN . 85.2 mt -63.94 -42.32 97.36 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.983 0.42 . . . . 0.11 110.875 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 71' ' ' SER . 52.3 t -60.8 -47.74 91.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.806 -0.634 . . . . 0.38 110.155 -178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -59.03 -46.48 88.11 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.325 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.06 -43.28 95.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.496 -0.32 . . . . 0.059999999999999998 110.667 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.34 -40.3 95.92 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0900000000000001 110.145 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 83' ' ' THR . 40.3 tp -56.97 -46.5 82.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.404 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CE1' ' O3 ' ' D' ' 200' ' ' PO3 . 86.7 m-70 -67.52 -47.14 70.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.328 -0.396 . . . . 0.080000000000000002 110.722 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.32 -46.2 91.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.53 -43.43 98.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.224 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 79' ' ' LEU . 25.4 p -62.64 -44.85 95.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.073 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.3 m -62.29 -48.22 80.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.424 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -58.13 -47.83 82.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.515 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.56 -44.32 97.24 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.055 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.619 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -57.39 -47.97 80.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.784 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 69.5 ttt-85 -58.92 -45.02 91.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.092 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -60.85 -43.9 97.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.108 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -64.48 -41.93 96.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.095 0.474 . . . . 0.0 109.86 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.625 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 74.5 mt -60.14 -41.31 86.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.297 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.596 HG23 ' HE1' ' A' ' 41' ' ' MET . 68.9 m -57.26 -45.71 83.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.45 . . . . 0.0 109.902 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.23 -43.73 97.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.549 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 87.4 mt -59.98 -43.66 94.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.445 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 91.2 mt -61.76 -43.32 97.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.518 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.49 -40.11 90.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 97' ' ' LEU . 83.4 mt -62.61 -41.67 99.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.878 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 63.7 m80 -59.16 -40.5 85.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 81.8 tt0 -61.63 -39.88 92.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.138 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.72 -37.37 87.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.41 135.16 49.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.393 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 55.94 14.84 1.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.579 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.554 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -57.52 -36.4 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' B' ' 6' ' ' GLU . 84.2 tt0 -58.41 -76.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.644 ' O ' HG23 ' B' ' 8' ' ' VAL . 94.5 mt -37.89 -38.02 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -65.17 -46.98 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.97 0.414 . . . . 1.9399999999999999 110.319 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.1 tt0 -67.61 -36.75 81.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.198 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.432 HG11 HD11 ' B' ' 58' ' ' LEU . 98.1 t -63.42 -42.51 96.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.376 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.644 HG23 ' O ' ' B' ' 4' ' ' LEU . 70.1 t -60.89 -43.59 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.866 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.5 mtp -59.19 -41.62 88.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.535 -0.542 . . . . 0.17999999999999999 109.535 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -41.33 97.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.417 HD13 ' OE1' ' B' ' 55' ' ' GLN . 84.5 mt -62.62 -43.3 99.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.383 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.99 -44.1 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.952 -0.567 . . . . 0.28999999999999998 109.729 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.82 -44.12 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.02 109.922 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.68 -45.9 92.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -60.51 -43.29 97.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.116 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.18 -42.38 99.42 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.6 mm-40 -63.9 -42.65 97.38 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.91 -49.63 77.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.937 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.59 HH12 ' HB2' ' B' ' 87' ' ' ALA . 62.7 ttm-85 -60.49 -47.02 87.97 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 77.9 p -54.86 -44.41 73.98 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.29 -42.58 99.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.714 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.637 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.73 -51.18 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.401 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.4 -42.44 91.76 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.642 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.02 92.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.675 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.7 89.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.657 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.35 -45.5 94.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.308 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.94 -41.75 75.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.17 -42.04 97.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.944 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.61 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.695 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.0 -29.56 69.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.035 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.83 -4.29 54.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.297 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.75 14.26 70.61 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -97.87 79.54 2.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.346 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.94 -34.41 78.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.606 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.56 79.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.036 0.446 . . . . 0.0 110.798 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.77 81.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.415 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.4 -47.97 81.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.571 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.32 -42.45 99.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.613 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.11 99.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.752 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.7 mmm -65.25 -40.28 93.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.558 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.541 ' HE1' HG23 ' B' ' 92' ' ' THR . 91.7 mtp -62.92 -41.44 99.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.547 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -61.21 -45.15 95.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.93 -41.56 99.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -60.67 -46.37 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.486 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -60.36 -42.7 96.34 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.249 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -60.53 -44.34 96.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.299 0.571 . . . . 0.0 110.636 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.63 98.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.203 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' B' ' 18' ' ' ALA . 92.3 mt -65.62 -40.78 92.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.737 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.79 -42.42 97.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.335 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.49 -39.87 92.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.204 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -45.62 76.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.515 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -61.38 -39.25 89.97 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.089999999999999997 110.292 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 53' ' ' LEU . 39.3 mt -60.5 -44.07 96.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.407 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.59 -43.3 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.09 0.472 . . . . 0.0 109.965 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.455 HE22 HD23 ' B' ' 74' ' ' LEU . 68.2 tp60 -59.78 -43.8 94.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.252 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -56.93 -43.64 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.059999999999999998 110.056 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.55 -39.84 94.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.938 0.399 . . . . 0.0 110.554 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.432 HD11 HG11 ' B' ' 7' ' ' VAL . 97.1 mt -64.09 -30.76 71.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.418 ' CG1' HD22 ' B' ' 74' ' ' LEU . 96.4 mt -84.8 -32.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.103 -0.499 . . . . 0.040000000000000001 110.787 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -84.56 -6.76 59.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.2 114.6 0.62 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' B' ' 63' ' ' ALA . 66.9 t0 -157.91 -123.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.334 . . . . 0.0 110.618 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.526 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . -65.92 145.27 56.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.484 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.13 -77.0 1.34 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.91 125.06 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.601 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.57 28.99 73.58 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -54.55 125.0 17.94 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.595 0.236 . . . . 0.0 110.478 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -108.16 138.07 45.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.654 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.73 -43.57 98.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.452 HG11 ' CB ' ' C' ' 76' ' ' HIS . 4.0 m -111.76 129.51 67.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.714 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.592 ' O ' HG23 ' B' ' 75' ' ' VAL . 88.1 p -131.41 166.19 21.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.562 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 72' ' ' LEU . 40.3 mt -59.68 -46.12 90.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.638 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' B' ' 8' ' ' VAL . 75.4 t -64.63 -47.47 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.54 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.455 HD23 HE22 ' B' ' 55' ' ' GLN . 85.5 mt -64.39 -42.05 96.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.069 0.461 . . . . 0.11 110.991 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 71' ' ' SER . 52.8 t -60.89 -47.02 95.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.862 -0.608 . . . . 0.38 110.288 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.684 ' CE1' ' HE2' ' B' ' 80' ' ' HIS . 59.1 t-80 -59.65 -46.64 88.42 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.854 -0.338 . . . . 1.1100000000000001 110.299 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.88 97.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.828 0.346 . . . . 0.059999999999999998 110.389 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.53 -40.62 97.36 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.209 -0.451 . . . . 1.0900000000000001 110.244 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.585 ' O ' HG23 ' B' ' 83' ' ' THR . 40.2 tp -56.82 -46.28 81.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.684 ' HE2' ' CE1' ' B' ' 76' ' ' HIS . 87.2 m-70 -67.77 -47.08 70.2 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.728 -0.389 . . . . 0.080000000000000002 110.72 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.34 -46.67 89.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -60.86 -43.93 97.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.257 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.585 HG23 ' O ' ' B' ' 79' ' ' LEU . 25.1 p -62.27 -45.12 94.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.116 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 71.8 m -61.81 -48.36 80.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -58.09 -47.93 81.71 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.503 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.44 -44.14 97.64 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.082 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.59 ' HB2' HH12 ' B' ' 19' ' ' ARG . . . -57.75 -47.7 81.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.846 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -59.09 -44.92 91.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.187 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.91 -43.9 97.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.175 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.47 -41.69 96.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.052 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.637 HD12 ' HB1' ' B' ' 22' ' ' ALA . 76.2 mt -60.29 -41.45 87.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.278 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.541 HG23 ' HE1' ' B' ' 41' ' ' MET . 68.2 m -57.13 -45.49 83.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.098 0.475 . . . . 0.0 109.868 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.61 -43.63 96.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.548 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.563 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.9 mt -59.88 -43.62 94.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.453 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.5 mt -62.06 -43.0 97.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.51 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.75 -40.33 92.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.52 -41.27 98.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.83 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.5 m80 -59.34 -40.6 86.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' B' ' 103' ' ' ALA . 81.9 tt0 -61.53 -39.9 92.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.063 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.92 -37.18 86.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.207 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.4 135.24 50.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.373 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 55.89 14.89 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.507 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -57.85 -36.39 72.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.589 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' C' ' 6' ' ' GLU . 84.3 tt0 -58.23 -76.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.352 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.654 ' O ' HG23 ' C' ' 8' ' ' VAL . 94.2 mt -37.72 -38.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.356 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -65.18 -46.57 80.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 1.9399999999999999 110.373 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' C' ' 3' ' ' GLU . 81.5 tt0 -67.97 -36.61 80.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.288 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.428 HG11 HD11 ' C' ' 58' ' ' LEU . 94.4 t -63.43 -42.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.315 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.654 HG23 ' O ' ' C' ' 4' ' ' LEU . 70.9 t -60.97 -43.53 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.991 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mtp -59.27 -41.42 88.84 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.591 -0.522 . . . . 0.17999999999999999 109.591 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.59 -41.5 97.8 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.41 HD13 ' OE1' ' C' ' 55' ' ' GLN . 84.9 mt -62.85 -43.0 99.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.92 -44.38 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.549 . . . . 0.29999999999999999 109.78 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.73 -44.31 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.02 110.001 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.1 -46.5 90.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.872 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -60.13 -43.34 95.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.225 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.9 99.32 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -64.37 -42.39 96.19 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.24 -49.52 77.51 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.604 HH12 ' HB2' ' C' ' 87' ' ' ALA . 63.0 ttm-85 -60.59 -47.0 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.8 p -55.03 -44.01 74.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.53 -42.4 98.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.744 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -60.04 -50.77 72.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.72 -42.57 93.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.547 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.79 92.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.746 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.77 89.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.578 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.51 -45.31 94.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.398 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -56.0 -41.68 75.25 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.37 -41.81 97.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.907 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.13 93.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.858 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.62 -29.4 70.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.081 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.57 -4.35 53.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.426 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.81 14.34 70.25 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.2 79.4 2.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.8 0.333 . . . . 0.0 110.231 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.57 -34.68 78.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.518 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.92 81.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.982 0.42 . . . . 0.0 110.628 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.46 80.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.395 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.89 80.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.429 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.13 -42.44 99.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.597 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.26 99.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.729 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.3 mmm -65.34 -40.37 93.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.54 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.568 ' HE1' HG23 ' C' ' 92' ' ' THR . 91.9 mtp -62.82 -41.42 99.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.36 -45.19 95.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 0.0 110.384 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.95 -41.45 99.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.311 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m -60.76 -46.24 91.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.545 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.407 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 72.2 ttt180 -60.45 -42.79 96.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.329 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.7 ttp -60.47 -44.45 95.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.342 0.591 . . . . 0.0 110.54 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.66 97.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.305 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' C' ' 18' ' ' ALA . 92.2 mt -64.65 -41.05 96.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.688 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.75 -42.88 98.26 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.305 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -64.9 -40.13 94.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.991 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.8 76.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.396 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.569 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.2 t-80 -61.49 -39.0 89.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.089999999999999997 110.301 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.53 -44.01 96.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.267 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.57 -43.16 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.105 0.478 . . . . 0.0 109.99 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.469 HE22 HD23 ' C' ' 74' ' ' LEU . 68.1 tp60 -60.05 -43.71 95.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.182 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.867 HG21 HG22 ' D' ' 356' ' ' THR . 94.1 m -57.05 -43.42 81.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.375 -0.375 . . . . 0.059999999999999998 110.093 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 57' ' ' LYS . . . . . 0.545 ' NZ ' HG21 ' D' ' 356' ' ' THR . 14.5 mptt -62.97 -39.2 93.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.491 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' C' ' 4' ' ' LEU . 97.3 mt -64.58 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.728 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.426 ' CG1' HD22 ' C' ' 74' ' ' LEU . 96.5 mt -85.22 -32.57 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.999 -0.546 . . . . 0.059999999999999998 110.748 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.0 mm-40 -84.73 -6.34 59.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.437 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.43 114.92 0.63 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' C' ' 63' ' ' ALA . 67.4 t0 -158.41 -123.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 110.429 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.533 ' H ' ' CG ' ' C' ' 62' ' ' ASP . . . -66.11 145.16 56.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.473 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.14 -76.9 1.33 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.77 125.22 24.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.31 . . . . 0.0 110.584 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.4 28.81 73.68 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -54.37 124.85 17.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.613 0.244 . . . . 0.0 110.548 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -108.25 138.06 45.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.46 ' NZ ' ' CB ' ' D' ' 351' ' ' GLN . 68.5 mttm -62.53 -43.84 97.81 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 m -111.39 128.93 67.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.75 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.597 ' O ' HG23 ' C' ' 75' ' ' VAL . 87.8 p -130.19 168.24 17.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.33 -44.5 97.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.722 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.573 HG13 HG21 ' C' ' 8' ' ' VAL . 68.5 t -66.73 -47.97 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 130.109 3.364 . . . . 0.0 110.572 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.469 HD23 HE22 ' C' ' 55' ' ' GLN . 85.7 mt -66.36 -41.64 89.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.11 111.004 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.597 HG23 ' O ' ' C' ' 71' ' ' SER . 54.1 t -61.26 -47.7 92.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.883 -0.599 . . . . 0.40000000000000002 110.242 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.675 ' CE1' ' HE2' ' C' ' 80' ' ' HIS . 59.1 t-80 -59.5 -46.64 88.24 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.876 -0.33 . . . . 1.02 110.241 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.79 96.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.941 0.4 . . . . 0.059999999999999998 110.458 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' GLN . . . . . 0.607 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 52.2 tt0 -62.68 -40.51 97.33 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0900000000000001 110.249 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.594 ' O ' HG23 ' C' ' 83' ' ' THR . 39.2 tp -56.65 -46.49 81.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.498 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.675 ' HE2' ' CE1' ' C' ' 76' ' ' HIS . 87.1 m-70 -67.68 -47.16 70.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.080000000000000002 110.755 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.32 -46.29 90.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.797 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.38 -43.49 98.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.393 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.594 HG23 ' O ' ' C' ' 79' ' ' LEU . 26.4 p -62.44 -45.19 94.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.147 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 70.1 m -61.93 -48.16 81.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.655 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -58.11 -48.08 81.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.56 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.29 -44.43 97.24 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.097 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.604 ' HB2' HH12 ' C' ' 19' ' ' ARG . . . -57.33 -48.01 80.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.918 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 69.1 ttt-85 -58.86 -45.13 90.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.22 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.35 -44.42 95.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.157 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.2 -41.83 96.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 110.033 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.6 mt -60.08 -41.7 87.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.363 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.568 HG23 ' HE1' ' C' ' 41' ' ' MET . 69.8 m -56.79 -45.67 82.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.025 0.44 . . . . 0.0 109.992 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.47 -43.58 96.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.499 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.574 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.2 mt -59.91 -43.6 94.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.302 0.572 . . . . 0.0 109.523 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.449 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 90.8 mt -61.95 -43.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.523 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.66 -40.41 91.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.23 -41.53 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.919 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.9 m80 -59.23 -40.79 87.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.726 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' C' ' 103' ' ' ALA . 81.9 tt0 -61.35 -39.64 91.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.095 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.04 -37.45 87.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.222 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.31 135.21 50.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 56.12 14.89 1.61 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 103' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.579 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 121.856 0.836 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.81 142.99 36.63 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.99 156.33 38.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.974 -1.079 . . . . 0.0 109.5 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.24 28.56 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.33 18.96 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.067 -1.021 . . . . 0.0 108.347 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.81 144.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.7 136.6 37.01 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.096 0.95 . . . . 0.0 110.15 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.95 114.33 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.89 -4.32 19.3 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.86 85.85 Favored Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 119.706 -1.871 . . . . 0.0 110.594 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.48 -47.68 12.84 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 124.709 3.606 . . . . 0.0 114.178 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.569 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 97.6 m-20 -102.1 27.52 6.56 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 116.04 -2.264 . . . . 0.0 108.783 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.18 -123.96 24.51 Favored Glycine 0 N--CA 1.497 2.761 0 C-N-CA 117.627 -2.225 . . . . 0.0 109.577 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.719 HD11 HD23 ' D' ' 384' ' ' LEU . 3.0 tp -129.97 81.58 2.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.905 -1.35 . . . . 0.0 109.514 -176.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -85.45 174.62 9.38 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.865 -1.534 . . . . 0.0 112.173 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.525 ' OG1' ' O3 ' ' D' ' 200' ' ' PO3 . 69.8 p -26.41 -58.36 0.08 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -176.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -53.94 -64.72 1.61 Allowed Pre-proline 0 N--CA 1.492 1.633 0 C-N-CA 120.212 -0.595 . . . . 0.0 112.5 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.45 -32.23 60.31 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.156 1.904 . . . . 0.0 111.539 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.481 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.81 86.7 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.525 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.521 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.68 72.42 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.96 -39.37 93.99 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 117.968 -1.493 . . . . 0.0 109.442 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.72 -45.31 93.34 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 122.622 1.201 . . . . 0.0 108.702 -177.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.481 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.3 t -62.57 -42.27 95.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.238 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.708 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -63.91 -40.25 96.05 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.269 -0.894 . . . . 0.0 109.737 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.527 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.8 -39.72 79.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.387 -0.82 . . . . 0.0 109.564 177.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.0 91.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.659 -1.276 . . . . 0.0 109.448 178.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.28 -16.25 43.64 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.44 86.2 Favored Glycine 0 N--CA 1.479 1.509 0 O-C-N 119.885 -1.759 . . . . 0.0 109.299 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.423 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.54 143.32 32.89 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.245 -1.738 . . . . 0.0 109.996 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.59 -30.05 59.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.18 -0.95 . . . . 0.0 112.377 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.52 10.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 119.799 -1.813 . . . . 0.0 112.751 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.27 35.39 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 102.877 -3.008 . . . . 0.0 102.877 171.179 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.7 136.55 60.47 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 O-C-N 121.125 -0.985 . . . . 0.0 109.314 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.94 143.12 51.04 Favored 'General case' 0 C--N 1.284 -2.239 0 CA-C-O 123.102 1.43 . . . . 0.0 110.014 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.02 129.91 61.4 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.71 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.3 m -127.47 119.55 26.36 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.965 -1.084 . . . . 0.0 108.95 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.47 122.57 39.26 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.591 -0.693 . . . . 0.0 109.993 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.3 t30 51.76 38.96 24.44 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.868 -1.145 . . . . 0.0 112.778 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 10.97 83.66 Favored Glycine 0 N--CA 1.502 3.092 0 O-C-N 119.859 -1.776 . . . . 0.0 112.552 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.29 54.53 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.82 158.55 33.12 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-O 123.751 1.739 . . . . 0.0 112.399 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.38 31.36 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 112.416 -2.175 . . . . 0.0 108.515 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 135.99 48.79 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.02 -6.78 47.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.78 -1.2 . . . . 0.0 110.717 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.47 13.02 31.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.674 -1.266 . . . . 0.0 109.433 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.5 t -133.13 104.12 6.35 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.096 0.951 . . . . 0.0 110.1 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.454 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.3 tp -57.26 -37.9 73.05 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.941 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -58.83 -51.38 70.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.529 -1.357 . . . . 0.0 113.118 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.44 70.51 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 119.541 -1.975 . . . . 0.0 109.16 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.75 -33.84 75.98 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.927 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.495 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.62 -10.45 52.2 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.64 -0.663 . . . . 0.0 109.937 -177.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.9 p -89.77 -7.65 53.95 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 118.125 -1.43 . . . . 0.0 110.954 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.44 159.3 15.31 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.209 -0.932 . . . . 0.0 110.096 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 106.893 -2.483 . . . . 0.0 106.893 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.5 mt -119.62 47.34 1.73 Allowed 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.7 -1.471 . . . . 0.0 107.413 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.867 HG22 HG21 ' C' ' 56' ' ' THR . 2.7 p -81.4 172.55 13.41 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.222 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.62 140.89 57.24 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.893 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.22 78.82 Favored Glycine 0 N--CA 1.5 2.922 0 C-N-CA 120.033 -1.079 . . . . 0.0 111.313 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.46 135.93 34.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.909 -1.348 . . . . 0.0 110.572 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.52 123.69 48.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.17 160.12 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 117.364 -1.734 . . . . 0.0 110.632 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.5 m -108.88 128.39 54.88 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.48 -1.387 . . . . 0.0 107.556 175.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.89 121.37 60.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.57 147.24 50.7 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -179.561 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.18 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.404 -1.318 . . . . 0.0 109.737 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.13 110.79 6.44 Favored 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 118.608 -1.237 . . . . 0.0 108.045 178.187 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.3 40.14 Favored Glycine 0 C--N 1.295 -1.701 0 C-N-CA 117.994 -2.051 . . . . 0.0 110.331 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.41 -40.67 83.09 Favored 'General case' 0 C--N 1.276 -2.6 0 CA-C-N 114.347 -0.926 . . . . 0.0 112.142 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -113.99 36.86 3.5 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 115.87 -2.332 . . . . 0.0 108.646 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.61 65.9 Favored 'General case' 0 N--CA 1.522 3.132 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.476 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.57 27.47 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 119.619 -1.925 . . . . 0.0 110.972 -176.54 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.781 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.5 -40.78 97.98 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.51 77.59 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 117.506 -1.678 . . . . 0.0 109.996 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.79 -42.24 89.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-O 122.206 1.003 . . . . 0.0 109.274 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.9 -47.98 76.46 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-O 122.075 0.94 . . . . 0.0 108.723 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.781 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.73 -38.4 76.85 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.697 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.54 -28.66 59.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.408 -1.432 . . . . 0.0 110.837 -174.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.49 70.93 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.508 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.2 63.34 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.527 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.27 84.27 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.01 -1.076 . . . . 0.0 110.491 177.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.32 -37.43 85.57 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.901 -1.124 . . . . 0.0 111.487 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.82 -31.83 61.8 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.136 -0.977 . . . . 0.0 110.32 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.35 45.87 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.482 -0.761 . . . . 0.0 111.35 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.719 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.06 125.46 12.22 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 124.394 2.045 . . . . 0.0 112.871 178.686 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.8 mt-10 . . . . . 0 C--N 1.278 -2.536 0 CA-C-N 111.084 -2.78 . . . . 0.0 110.186 -177.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.607 ' O2 ' ' NE2' ' C' ' 78' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -57.86 -36.94 73.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.606 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.3 mt-10 -58.48 -76.31 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.486 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.2 mt -37.45 -39.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.331 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.93 -46.13 82.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.908 0.385 . . . . 1.9399999999999999 110.197 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.9 tt0 -67.37 -36.18 80.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.251 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 58' ' ' LEU . 91.2 t -63.79 -42.59 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.431 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 4' ' ' LEU . 84.6 t -60.44 -44.19 95.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.973 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.501 ' CE ' HD22 ' D' ' 347' ' ' LEU . 89.9 mtp -58.88 -42.39 89.36 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.465 -0.568 . . . . 0.17999999999999999 109.465 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -41.51 98.56 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.407 HD13 ' NE2' ' A' ' 55' ' ' GLN . 83.9 mt -62.89 -43.17 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.226 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.11 -43.98 99.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.022 -0.535 . . . . 0.20000000000000001 109.77 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.552 HD11 ' HB1' ' D' ' 320' ' ' ALA . 92.5 mt -64.02 -44.4 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.01 109.978 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.508 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 48.6 t-20 -61.16 -46.22 91.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.724 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -60.0 -44.11 94.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.929 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.84 -41.81 99.79 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -64.48 -42.58 95.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.565 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.59 -49.4 77.6 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.854 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.53 -46.43 90.2 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.3 m -54.76 -43.85 73.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.08 -42.78 99.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.723 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.587 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.57 -50.74 72.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.54 -42.51 92.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.598 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.73 92.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.752 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.34 86.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.663 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.23 -45.27 95.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.434 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.73 -42.11 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.86 -41.87 96.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.795 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.61 92.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.75 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.75 -29.69 69.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.161 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.7 -4.32 55.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.488 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.85 17.16 63.96 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.34 78.85 2.07 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.718 0.294 . . . . 0.0 110.286 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -64.7 -34.36 78.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.34 75.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.132 0.491 . . . . 0.0 110.788 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.83 82.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.302 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.98 -48.47 78.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.46 -43.41 98.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.645 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.34 99.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.814 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.34 -40.35 93.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.492 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.487 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 91.2 mmm -63.93 -40.87 97.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.663 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.25 -44.23 97.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.014 0.435 . . . . 0.0 110.505 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.97 -40.46 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.161 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 t -61.8 -45.75 92.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.509 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 70.5 ttt180 -60.47 -42.56 96.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.345 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.8 ttp -60.57 -44.66 95.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.237 0.542 . . . . 0.0 110.579 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.02 97.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.217 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.565 HD21 ' CB ' ' A' ' 18' ' ' ALA . 96.5 mt -65.29 -40.32 93.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.618 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.38 -42.04 98.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.359 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -65.49 -40.2 92.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.198 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.508 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.13 -45.02 78.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.441 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -61.7 -39.02 89.99 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.019 -0.537 . . . . 0.089999999999999997 110.373 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.0 mt -60.35 -44.07 95.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.91 -42.73 92.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.997 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.549 ' NE2' ' HB1' ' A' ' 77' ' ' ALA . 11.2 tp-100 -60.86 -43.11 98.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.281 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.3 m -56.88 -42.99 80.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.059999999999999998 110.087 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.89 -40.22 92.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.528 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.547 HD22 HD22 ' A' ' 4' ' ' LEU . 96.4 mt -68.69 -39.7 80.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.65 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.58 -40.35 84.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.050000000000000003 110.853 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -81.06 -15.01 57.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.501 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.97 -16.68 43.71 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.484 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 68.1 t0 -96.37 -30.06 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 0.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.17 90.01 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.515 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.53 174.19 33.22 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 65' ' ' GLU . 13.9 pt-20 -62.87 123.52 18.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 110.623 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.2 -0.0 60.29 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -101.65 151.24 22.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.444 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -75.43 141.18 43.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -88.72 -9.79 50.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.876 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 m -101.73 120.43 51.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.773 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.588 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.8 p -129.61 162.05 29.15 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 72' ' ' LEU . 33.5 mt -57.89 -45.63 86.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.573 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 8' ' ' VAL . 78.1 t -64.55 -48.5 84.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.905 0.383 . . . . 0.0 110.588 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.9 -42.06 97.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.184 -0.462 . . . . 0.11 110.895 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 71' ' ' SER . 56.0 t -59.51 -47.31 91.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.749 -0.66 . . . . 0.38 110.227 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.478 ' ND1' HG12 ' C' ' 70' ' ' VAL . 1.3 t60 -59.68 -44.99 93.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.848 0.356 . . . . 0.0 110.347 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HB1' ' NE2' ' A' ' 55' ' ' GLN . . . -64.19 -43.54 94.76 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.427 -0.352 . . . . 0.059999999999999998 110.67 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -62.48 -39.79 94.6 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.195 -0.457 . . . . 1.0900000000000001 110.201 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 83' ' ' THR . 47.5 tp -56.27 -46.46 79.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.392 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.615 ' CE1' ' O3 ' ' D' ' 200' ' ' PO3 . 69.0 m-70 -67.78 -46.01 73.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.668 -0.413 . . . . 0.080000000000000002 110.71 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.08 -46.57 90.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.823 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.1 mmt -61.57 -43.34 99.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.204 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.8 p -63.57 -46.98 83.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.088 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.8 t -62.54 -48.61 78.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.9 tpp -57.47 -48.54 78.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.533 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.06 -44.37 97.49 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.156 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.47 79.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.847 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 70.8 ttt-85 -58.43 -46.23 86.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.146 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.43 -44.08 96.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.064 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.98 -42.07 97.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.094 0.473 . . . . 0.0 109.83 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.587 HD12 ' HB1' ' A' ' 22' ' ' ALA . 73.3 mt -60.68 -42.61 92.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.487 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.4 m -57.22 -45.8 83.54 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.63 -0.428 . . . . 0.0 109.901 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.52 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.6 mt-10 -63.78 -43.06 97.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.485 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.466 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 79.2 mt -59.76 -43.31 94.38 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.93 -42.83 94.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.512 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -62.48 -38.39 89.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 97' ' ' LEU . 37.7 mt -62.7 -42.04 99.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.857 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.6 m80 -60.34 -39.16 86.12 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 102' ' ' LYS . 80.9 tt0 -62.19 -39.1 91.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.179 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.61 -39.61 94.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.148 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.8 mt -64.24 -41.44 96.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.363 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.3 mttt -90.92 140.82 29.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.478 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.58 179.852 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.88 -37.54 74.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.538 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.1 mt-10 -57.87 -76.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.622 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.3 mt -37.46 -38.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.562 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.03 -46.04 82.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 1.9399999999999999 110.379 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' GLU . 83.8 tt0 -67.21 -36.14 81.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.232 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.498 HG11 HD11 ' B' ' 58' ' ' LEU . 92.5 t -63.83 -42.35 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.622 HG23 ' O ' ' B' ' 4' ' ' LEU . 83.6 t -60.89 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.878 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mtp -59.01 -42.06 89.24 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.575 -0.528 . . . . 0.17999999999999999 109.575 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.42 98.12 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.91 -43.05 99.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 110.398 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.2 -43.96 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.958 -0.565 . . . . 0.28999999999999998 109.695 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.15 -44.45 97.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.918 -0.583 . . . . 0.02 109.902 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 48.3 t-20 -61.06 -46.04 92.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.809 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.6 t -60.2 -44.1 95.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.124 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -41.64 99.83 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.33 -43.02 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.546 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.32 -49.2 78.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.922 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.79 -45.89 92.62 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.9 m -55.27 -43.6 74.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.26 -43.01 99.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.677 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.589 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.37 -50.98 71.89 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.37 -42.44 91.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.691 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.18 93.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.737 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.33 85.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.621 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.24 -45.55 94.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.301 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.51 -42.2 74.15 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.72 -41.75 95.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.866 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.68 93.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.685 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.71 -29.75 69.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.059 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.78 -4.04 55.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.42 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.59 17.12 64.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.28 78.77 2.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.815 0.341 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.58 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -49.15 76.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.064 0.459 . . . . 0.0 110.814 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.66 81.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.72 77.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.628 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.1 -43.67 98.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.6 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.41 99.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.21 -40.57 94.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.476 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 91.3 mmm -63.71 -40.84 97.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.587 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.31 -44.49 96.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.477 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.47 -40.41 96.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.29 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 43.8 t -61.96 -45.87 91.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.405 ' HB2' ' NH2' ' B' ' 88' ' ' ARG . 70.2 ttt180 -60.48 -42.52 96.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.251 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 55.2 ttp -60.48 -44.8 95.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.285 0.564 . . . . 0.0 110.653 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.97 97.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.148 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.546 HD21 ' CB ' ' B' ' 18' ' ' ALA . 96.4 mt -65.51 -40.35 92.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.69 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.43 -41.39 97.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.394 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.95 -40.35 91.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.154 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.496 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.06 -45.27 77.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.433 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -61.38 -39.1 89.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.089999999999999997 110.254 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.7 mt -60.49 -44.06 96.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.412 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.62 -43.45 93.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 110.074 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.581 ' NE2' ' HB1' ' B' ' 77' ' ' ALA . 11.3 tp-100 -60.04 -43.75 95.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.3 m -56.37 -43.15 78.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.059999999999999998 109.955 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.14 -39.81 91.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.918 0.389 . . . . 0.0 110.529 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.526 HD22 HD22 ' B' ' 4' ' ' LEU . 97.9 mt -68.91 -39.5 79.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.75 -40.36 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.038 -0.528 . . . . 0.040000000000000001 110.798 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -81.3 -14.11 57.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.617 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.52 -16.92 40.98 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.48 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 67.9 t0 -96.54 -30.04 13.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.576 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.18 90.22 4.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.393 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.85 174.63 33.16 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -63.29 123.51 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.8 -0.56 61.35 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -101.51 151.36 22.05 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.674 0.273 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mtm -75.63 141.89 42.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.607 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -89.25 -9.03 52.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 m -103.09 120.17 52.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.756 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.629 ' O ' HG23 ' B' ' 75' ' ' VAL . 99.0 p -129.08 163.9 24.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.527 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 72' ' ' LEU . 36.9 mt -60.27 -45.4 93.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.545 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.561 HG13 HG21 ' B' ' 8' ' ' VAL . 73.9 t -63.6 -47.98 88.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.764 0.316 . . . . 0.0 110.573 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.24 -41.89 96.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.136 0.493 . . . . 0.11 110.984 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 71' ' ' SER . 56.1 t -59.41 -47.16 91.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.343 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.434 ' NE2' ' NE2' ' B' ' 80' ' ' HIS . 49.6 t60 -59.47 -45.91 90.27 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.854 -0.338 . . . . 1.1100000000000001 110.317 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.581 ' HB1' ' NE2' ' B' ' 55' ' ' GLN . . . -63.38 -43.68 96.91 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.864 0.364 . . . . 0.059999999999999998 110.409 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.49 -39.98 95.24 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.124 -0.489 . . . . 1.0900000000000001 110.216 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 83' ' ' THR . 46.5 tp -56.2 -46.6 79.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.363 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.434 ' NE2' ' NE2' ' B' ' 76' ' ' HIS . 69.5 m-70 -67.62 -45.89 74.07 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.681 -0.408 . . . . 0.080000000000000002 110.796 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.35 -46.34 90.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 19.4 mmt -61.81 -43.52 98.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.236 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.1 p -63.17 -47.02 84.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.133 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -62.36 -48.95 77.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.673 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.6 tpp -57.05 -48.92 77.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.412 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.83 -44.46 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.118 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.33 80.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.942 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' B' ' 45' ' ' ARG . 71.4 ttt-85 -58.87 -45.76 89.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.275 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.67 -43.99 97.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.219 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.95 -42.16 97.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.029 0.442 . . . . 0.0 109.984 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.589 HD12 ' HB1' ' B' ' 22' ' ' ALA . 73.4 mt -60.67 -42.57 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.195 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.476 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 16.2 m -57.11 -46.12 82.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.061 0.458 . . . . 0.0 109.919 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.4 mt-10 -63.63 -42.45 98.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.49 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.52 HD13 ' OE1' ' A' ' 93' ' ' GLU . 78.5 mt -60.43 -43.2 97.04 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.09 -42.84 94.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.554 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -62.17 -38.97 91.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.1 mt -62.31 -42.12 99.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.834 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.3 m80 -60.24 -39.31 86.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.723 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' B' ' 102' ' ' LYS . 81.6 tt0 -62.16 -39.03 91.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.056 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.7 -39.49 94.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.115 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.3 mt -64.31 -41.59 96.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.383 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.3 mttt -90.85 140.91 29.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.584 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.596 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.88 -37.28 73.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.3 mt-10 -58.17 -76.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.639 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.5 mt -37.46 -38.96 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.431 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.03 -45.95 83.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 1.9399999999999999 110.424 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' C' ' 3' ' ' GLU . 83.9 tt0 -67.43 -35.86 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.489 HG11 HD11 ' C' ' 58' ' ' LEU . 91.8 t -63.95 -42.62 96.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.372 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.639 HG23 ' O ' ' C' ' 4' ' ' LEU . 84.7 t -60.71 -43.92 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.029 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.1 -42.07 89.63 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.539 -0.541 . . . . 0.17999999999999999 109.539 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.16 -41.59 98.33 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.409 HD13 ' NE2' ' C' ' 55' ' ' GLN . 84.8 mt -62.72 -42.96 99.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.969 0.414 . . . . 0.0 110.388 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.3 -44.1 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.556 . . . . 0.29999999999999999 109.707 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.99 -44.26 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.02 110.053 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.488 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 48.9 t-20 -61.38 -46.24 91.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.719 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -59.79 -44.29 94.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.1 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.83 99.78 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.2 -42.9 96.44 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.546 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.28 -49.56 76.69 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.56 -46.16 91.24 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 64.6 m -54.93 -43.89 73.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.97 -42.71 99.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.778 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.581 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.81 -50.57 73.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.62 -42.74 93.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.549 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.94 92.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.732 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.35 86.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.615 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.25 -45.32 95.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.374 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.67 -42.18 74.76 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.74 -41.82 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.966 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.26 92.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.776 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.06 -29.56 69.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.123 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -81.84 -4.29 56.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.469 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 17.3 63.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -100.34 78.65 2.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.782 0.325 . . . . 0.0 110.308 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -64.64 -34.57 78.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -48.76 78.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 0.0 110.646 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.65 81.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.16 79.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.522 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.5 -43.67 98.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.572 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.53 99.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 87.9 mmm -65.28 -40.49 93.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.487 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 91.3 mmm -63.72 -41.05 98.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.33 -44.2 97.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.408 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.71 -40.22 96.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.294 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -62.25 -45.89 91.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.449 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.409 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 70.0 ttt180 -60.37 -42.43 95.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.35 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 56.9 ttp -60.61 -44.95 95.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.316 0.579 . . . . 0.0 110.518 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.64 98.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.546 HD21 ' CB ' ' C' ' 18' ' ' ALA . 95.1 mt -64.83 -40.8 95.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.718 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.1 -41.79 97.33 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.367 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.65 -40.22 92.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.078 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.488 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.16 -45.5 76.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.397 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.563 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.4 t60 -61.21 -38.84 88.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.089999999999999997 110.282 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.82 -43.89 97.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.352 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.6 -43.46 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.031 0.443 . . . . 0.0 109.967 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.579 ' NE2' ' HB1' ' C' ' 77' ' ' ALA . 11.3 tp-100 -60.11 -43.75 95.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.273 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.811 HG21 HG22 ' D' ' 356' ' ' THR . 16.0 m -56.3 -43.15 78.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.059999999999999998 110.197 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.13 -39.76 91.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.504 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.531 HD22 HD22 ' C' ' 4' ' ' LEU . 96.6 mt -68.88 -39.46 79.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.822 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.73 -40.2 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.059999999999999998 110.836 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.52 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.2 mm-40 -81.54 -14.21 57.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.461 -179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.68 -16.09 43.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.497 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 68.0 t0 -97.24 -30.01 13.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.908 0.385 . . . . 0.0 110.498 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.31 90.18 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.77 174.41 33.08 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' C' ' 65' ' ' GLU . 14.5 pt-20 -62.88 123.35 18.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 0.0 110.578 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.69 -0.54 61.0 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -101.27 151.29 22.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.668 0.27 . . . . 0.0 110.491 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mtm -75.78 141.88 42.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.577 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.404 ' NZ ' HG22 ' D' ' 316' ' ' THR . 64.8 pttt -89.21 -8.83 52.78 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.478 HG12 ' ND1' ' A' ' 76' ' ' HIS . 3.6 m -102.98 119.93 52.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.756 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.649 ' O ' HG23 ' C' ' 75' ' ' VAL . 98.3 p -128.04 166.27 18.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.475 -178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.99 -44.43 96.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.726 -177.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.581 HG13 HG21 ' C' ' 8' ' ' VAL . 69.5 t -65.07 -48.48 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 130.053 3.341 . . . . 0.0 110.645 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.93 -41.72 90.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.072 0.463 . . . . 0.11 111.043 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.649 HG23 ' O ' ' C' ' 71' ' ' SER . 55.6 t -59.94 -47.42 91.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.749 -0.66 . . . . 0.40000000000000002 110.297 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.415 ' NE2' ' NE2' ' C' ' 80' ' ' HIS . 49.9 t60 -59.73 -45.77 91.17 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.914 -0.314 . . . . 1.02 110.242 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.579 ' HB1' ' NE2' ' C' ' 55' ' ' GLN . . . -63.64 -43.43 96.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.896 0.379 . . . . 0.059999999999999998 110.41 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.79 -39.72 95.13 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.251 -0.432 . . . . 1.0900000000000001 110.311 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.504 ' O ' HG23 ' C' ' 83' ' ' THR . 46.3 tp -56.28 -46.51 79.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.499 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.415 ' NE2' ' NE2' ' C' ' 76' ' ' HIS . 69.7 m-70 -67.68 -46.06 73.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.399 . . . . 0.080000000000000002 110.76 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.11 -46.68 89.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.792 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 19.6 mmt -61.47 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.358 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.504 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.6 p -63.82 -46.61 84.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.152 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.81 -48.79 77.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.6 tpp -56.98 -48.72 77.73 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.694 0.283 . . . . 0.0 110.505 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.11 -44.37 97.44 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.115 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.09 -48.05 81.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.969 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.409 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 70.7 ttt-85 -59.01 -45.77 89.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.23 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.48 -44.25 96.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.168 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.92 -42.13 97.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.189 0.519 . . . . 0.0 110.008 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.581 HD12 ' HB1' ' C' ' 22' ' ' ALA . 73.4 mt -60.65 -42.5 92.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.406 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.487 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 16.8 m -57.08 -46.14 82.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.47 . . . . 0.0 110.011 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.62 -42.73 98.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.509 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' B' ' 93' ' ' GLU . 79.1 mt -60.07 -43.27 95.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.89 -42.95 94.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.597 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -62.04 -39.14 91.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.135 0.493 . . . . 0.0 109.763 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.7 mt -62.11 -42.02 98.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.912 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.5 m80 -60.56 -39.0 86.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.705 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.2 tt0 -62.07 -39.38 92.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.117 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.33 -39.33 94.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.256 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.63 -41.59 96.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.386 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.3 mttt -90.64 140.99 29.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.489 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.502 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.53 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.217 -0.656 0 CA-C-O 121.866 0.841 . . . . 0.0 108.929 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.04 36.63 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.25 38.42 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.104 -0.998 . . . . 0.0 109.498 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.12 28.44 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.29 18.95 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.101 -0.999 . . . . 0.0 108.416 178.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.75 136.65 37.0 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.189 0.995 . . . . 0.0 110.076 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.97 114.33 24.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.89 -4.36 19.26 Favored 'General case' 0 C--N 1.264 -3.128 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.819 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.46 141.8 85.91 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 119.691 -1.881 . . . . 0.0 110.632 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.53 -47.65 12.98 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 124.717 3.612 . . . . 0.0 114.159 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.563 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 97.8 m-20 -102.11 27.46 6.62 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 116.076 -2.25 . . . . 0.0 108.803 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 64.95 -132.28 36.81 Favored Glycine 0 N--CA 1.496 2.683 0 C-N-CA 117.675 -2.202 . . . . 0.0 109.559 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 9.4 tp -119.25 80.77 1.61 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.927 -1.337 . . . . 0.0 109.469 -176.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -86.72 175.41 8.27 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 117.804 -1.559 . . . . 0.0 112.231 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.546 ' OG1' ' O3 ' ' D' ' 200' ' ' PO3 . 81.4 p -25.08 -68.49 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -47.34 -64.51 1.0 Allowed Pre-proline 0 N--CA 1.494 1.745 0 C-N-CA 120.124 -0.63 . . . . 0.0 112.477 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.39 -32.29 60.82 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 C-N-CA 121.884 1.723 . . . . 0.0 111.519 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.437 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.9 -38.81 86.95 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.275 -0.891 . . . . 0.0 109.527 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.98 -39.7 72.35 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.99 -39.41 94.05 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.019 -1.473 . . . . 0.0 109.443 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.29 93.44 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.596 1.188 . . . . 0.0 108.684 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.437 HG23 ' O ' ' D' ' 319' ' ' ALA . 54.9 t -62.62 -42.36 95.69 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.289 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.642 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.438 ' HZ1' HD12 ' A' ' 13' ' ' ILE . 91.7 mttt -63.86 -40.2 96.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.236 -0.915 . . . . 0.0 109.84 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.527 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.7 80.13 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.46 -0.775 . . . . 0.0 109.595 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.91 92.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.593 -1.317 . . . . 0.0 109.42 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.29 -16.26 43.8 Favored 'General case' 0 N--CA 1.511 2.579 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.61 86.03 Favored Glycine 0 N--CA 1.478 1.445 0 O-C-N 119.909 -1.744 . . . . 0.0 109.355 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.422 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.41 143.29 32.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.3 -1.706 . . . . 0.0 110.037 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.5 p -75.58 -30.08 59.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.272 -0.892 . . . . 0.0 112.348 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.72 158.57 10.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 119.885 -1.759 . . . . 0.0 112.831 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.2 35.31 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 102.805 -3.035 . . . . 0.0 102.805 171.241 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.59 60.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.386 0 CA-C-O 122.207 1.004 . . . . 0.0 109.28 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.92 143.24 50.97 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-O 123.085 1.422 . . . . 0.0 109.948 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.0 t -108.12 129.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.771 0 N-CA-C 105.534 -2.025 . . . . 0.0 105.534 173.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.46 119.59 26.44 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.891 -1.131 . . . . 0.0 108.989 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.52 122.59 39.28 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.56 -0.713 . . . . 0.0 109.914 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.76 38.91 24.3 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.965 -1.085 . . . . 0.0 112.757 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.99 83.54 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 119.959 -1.713 . . . . 0.0 112.516 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.81 136.28 54.53 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.77 158.55 33.03 Favored 'General case' 0 C--N 1.276 -2.63 0 CA-C-O 123.775 1.75 . . . . 0.0 112.468 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.41 31.46 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 112.493 -2.139 . . . . 0.0 108.582 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.63 135.99 48.81 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.05 -6.76 47.72 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.608 -1.307 . . . . 0.0 110.657 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.46 12.92 31.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.648 -1.282 . . . . 0.0 109.382 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.8 t -133.07 104.19 6.4 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 122.14 0.971 . . . . 0.0 110.154 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.501 HD22 ' CE ' ' A' ' 9' ' ' MET . 53.9 tp -57.3 -37.85 73.08 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.969 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -58.88 -51.33 70.47 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.61 -1.306 . . . . 0.0 113.081 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.41 70.46 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 119.594 -1.942 . . . . 0.0 109.234 -178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.77 -33.74 75.8 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.95 -1.1 . . . . 0.0 109.982 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.52 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.66 -10.47 52.56 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.675 -0.641 . . . . 0.0 109.895 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.9 p -89.81 -7.73 53.69 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 118.077 -1.449 . . . . 0.0 110.919 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.32 159.35 15.3 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.197 -0.939 . . . . 0.0 110.208 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.75 2.96 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.54 47.39 1.72 Allowed 'General case' 0 C--N 1.308 -1.224 0 O-C-N 120.798 -1.413 . . . . 0.0 107.439 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.811 HG22 HG21 ' C' ' 56' ' ' THR . 3.4 p -81.44 172.56 13.38 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.781 -1.168 . . . . 0.0 109.254 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.7 140.92 57.34 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.289 -0.965 . . . . 0.0 109.904 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.25 78.91 Favored Glycine 0 N--CA 1.501 2.98 0 C-N-CA 120.03 -1.081 . . . . 0.0 111.408 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.44 135.86 34.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.93 -1.335 . . . . 0.0 110.634 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.48 123.7 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.17 160.07 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 C-N-CA 117.418 -1.713 . . . . 0.0 110.635 178.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.87 128.44 54.91 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 120.604 -1.31 . . . . 0.0 107.542 175.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.91 121.38 60.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.18 50.7 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -179.521 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.71 153.47 47.24 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.697 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.53 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.8 6.42 Favored 'General case' 0 C--N 1.288 -2.07 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.04 178.163 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.34 40.16 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 118.001 -2.047 . . . . 0.0 110.392 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.43 -40.57 82.91 Favored 'General case' 0 C--N 1.275 -2.661 0 CA-C-N 114.349 -0.926 . . . . 0.0 112.169 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.05 36.79 3.55 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 118.94 -2.35 . . . . 0.0 108.594 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.4 -33.47 65.81 Favored 'General case' 0 N--CA 1.522 3.138 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -174.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.464 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.96 -45.57 27.15 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 119.657 -1.902 . . . . 0.0 110.987 -176.569 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.84 98.17 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.45 77.82 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 117.435 -1.706 . . . . 0.0 110.061 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.2 t -66.8 -42.2 88.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-O 122.278 1.037 . . . . 0.0 109.347 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.85 -47.96 76.34 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.105 0.955 . . . . 0.0 108.765 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.75 -38.33 76.76 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.72 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.61 -28.66 58.95 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.457 -1.402 . . . . 0.0 110.899 -174.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.37 -39.51 71.95 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.446 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.26 62.88 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.527 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.24 -45.25 84.12 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.532 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.35 -37.34 85.29 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.884 -1.135 . . . . 0.0 111.532 -177.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -75.0 -31.72 61.47 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.203 -0.936 . . . . 0.0 110.313 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.94 -32.17 45.42 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.529 -0.732 . . . . 0.0 111.39 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.11 125.47 12.31 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 124.305 2.003 . . . . 0.0 112.87 178.632 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.819 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.1 mm-40 . . . . . 0 C--N 1.276 -2.592 0 CA-C-N 111.214 -2.721 . . . . 0.0 110.136 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.615 ' O3 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.72 138.12 58.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.4 mt-10 -62.41 137.56 58.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.689 ' O ' HG23 ' A' ' 8' ' ' VAL . 94.5 mt -37.43 -36.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.481 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.09 -46.72 79.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.894 0.378 . . . . 1.9399999999999999 110.292 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' GLU . 98.2 mt-10 -68.51 -35.66 77.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.311 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.48 HG11 HD11 ' A' ' 58' ' ' LEU . 90.9 t -64.36 -41.61 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.413 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 4' ' ' LEU . 78.7 t -61.18 -44.04 97.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.876 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 86.4 mtp -58.7 -42.35 88.4 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.484 -0.562 . . . . 0.17999999999999999 109.484 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.04 97.82 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.31 -43.36 98.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.221 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.0 -44.64 99.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.20000000000000001 109.747 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.1 -44.27 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.529 . . . . 0.01 109.979 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.2 t-20 -61.1 -46.79 89.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.766 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -59.92 -43.39 94.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.018 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.563 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.14 -42.22 99.52 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -64.32 -43.05 95.88 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.05 75.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.822 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -60.07 -46.74 88.57 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -54.36 -43.96 71.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.52 -42.11 98.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.757 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.08 -50.47 73.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -59.73 -41.56 91.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.651 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.3 92.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.73 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.32 85.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.652 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.8 -45.03 96.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.402 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.48 -42.08 77.68 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -61.62 -44.21 97.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.817 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.02 95.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.765 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.7 -31.36 70.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.145 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -82.19 -3.49 55.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.373 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.25 16.88 68.12 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -99.37 79.26 2.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.748 0.309 . . . . 0.0 110.195 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.63 -33.61 76.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.656 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.59 74.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.003 0.43 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.13 80.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.1 81.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.54 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.84 -42.02 98.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.627 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -44.0 97.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.55 -39.92 92.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.535 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.533 ' HE1' HG23 ' A' ' 92' ' ' THR . 90.1 mtp -62.1 -42.78 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.606 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.35 -43.98 97.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.438 . . . . 0.0 110.575 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.44 -41.15 98.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.215 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.4 t -61.75 -47.07 86.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.526 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -60.23 -43.31 96.14 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.35 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.21 -43.66 95.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.18 0.514 . . . . 0.0 110.556 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.76 -43.92 94.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.223 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.84 -40.68 95.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.86 -42.94 98.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.284 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.03 -39.77 93.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.164 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.32 -46.12 74.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.476 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -60.87 -39.35 88.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.089999999999999997 110.36 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.5 mt -60.97 -44.08 97.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.357 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.65 -43.12 90.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.962 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.41 HE22 HD23 ' A' ' 74' ' ' LEU . 67.4 tp60 -60.25 -44.35 95.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.237 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.1 m -56.8 -42.84 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.059999999999999998 110.018 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.69 -39.94 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.515 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 4' ' ' LEU . 97.8 mt -63.63 -30.57 71.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.666 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.4 mt -83.72 -31.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.050000000000000003 110.886 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.41 -9.65 59.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.44 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.18 177.41 4.31 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 55.6 p-10 -64.38 145.29 56.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 110.663 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.38 145.32 52.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.03 164.33 54.33 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -59.16 102.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.688 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.39 0.82 84.86 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 68' ' ' MET . 54.9 mtpt -119.89 133.84 55.44 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.677 0.275 . . . . 0.0 110.437 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.411 ' O ' ' O ' ' A' ' 67' ' ' LYS . 98.5 mmm -61.33 -132.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.643 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -96.72 -7.2 34.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.0 t -105.55 127.41 60.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.712 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 75' ' ' VAL . 66.6 p -136.41 171.0 15.13 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.31 -41.4 84.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.563 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' A' ' 8' ' ' VAL . 65.0 t -64.72 -45.55 94.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.86 0.362 . . . . 0.0 110.559 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 HE22 ' A' ' 55' ' ' GLN . 82.4 mt -63.53 -41.98 98.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.213 -0.448 . . . . 0.11 110.956 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 71' ' ' SER . 53.6 t -59.86 -47.29 92.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.795 -0.639 . . . . 0.38 110.153 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -58.34 -46.28 86.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.837 0.351 . . . . 0.0 110.344 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.73 -43.04 94.67 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.415 -0.357 . . . . 0.059999999999999998 110.62 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.93 -41.13 97.6 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0900000000000001 110.181 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 83' ' ' THR . 44.1 tp -56.6 -45.57 81.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.368 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.593 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 72.1 m-70 -66.87 -46.26 75.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.303 -0.408 . . . . 0.080000000000000002 110.747 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.36 -45.85 92.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.847 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.65 -43.43 98.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.189 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.8 p -63.59 -45.48 90.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.095 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.85 -49.92 72.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.386 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.14 -48.23 79.21 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.555 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.97 -44.0 97.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.94 0.4 . . . . 0.0 110.089 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.91 -48.78 78.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.797 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -59.06 -45.3 91.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.117 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.597 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 96.2 mt-10 -60.35 -44.72 95.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.076 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.67 -43.1 94.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.163 0.506 . . . . 0.0 109.878 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.543 HD12 ' HB1' ' A' ' 22' ' ' ALA . 78.4 mt -60.33 -42.26 90.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.533 HG23 ' HE1' ' A' ' 41' ' ' MET . 6.3 m -57.62 -46.35 84.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.01 0.433 . . . . 0.0 109.841 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.59 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.2 mt-10 -64.1 -42.78 96.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.574 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.406 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 69.8 mt -59.27 -43.87 92.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.95 -42.51 93.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.554 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -61.78 -38.78 89.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.786 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 97' ' ' LEU . 82.5 mt -62.58 -41.88 99.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.907 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 66.7 m80 -61.06 -38.32 85.77 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 102' ' ' LYS . 10.3 tm-20 -63.32 -39.1 93.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.242 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.54 -40.59 97.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.227 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.82 -42.24 95.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.355 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.462 ' O ' ' OXT' ' A' ' 103' ' ' ALA . 55.0 mtpt -88.64 141.26 28.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.484 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.462 ' OXT' ' O ' ' A' ' 102' ' ' LYS . . . . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.59 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.1 138.0 58.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.3 mt-10 -62.2 137.81 58.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.425 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.694 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.6 mt -37.63 -36.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.503 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.23 -46.62 79.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 1.9399999999999999 110.349 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.6 mt-10 -68.42 -35.88 78.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.19 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.49 HG11 HD11 ' B' ' 58' ' ' LEU . 90.1 t -64.15 -41.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.305 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 4' ' ' LEU . 81.6 t -61.07 -43.85 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.854 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 86.2 mtp -58.91 -41.81 88.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.58 -0.526 . . . . 0.17999999999999999 109.58 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.8 -42.41 97.08 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.01 -43.19 99.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.342 . . . . 0.0 110.342 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.35 -44.58 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.28999999999999998 109.677 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.12 -44.27 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.954 -0.566 . . . . 0.02 109.934 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.4 t-20 -61.11 -46.79 89.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.767 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.8 p -59.8 -43.58 94.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.089 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -41.81 99.33 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -64.22 -43.56 94.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.93 75.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.948 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.597 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 76.4 ttt180 -59.95 -46.81 88.2 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -54.34 -43.76 71.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.66 -42.36 98.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.733 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.551 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -58.95 -50.37 74.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.49 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.5 m-85 -59.84 -41.32 91.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.716 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.2 93.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.725 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.2 86.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.705 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.97 -45.38 94.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.277 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.06 -42.24 76.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.46 -44.03 97.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.879 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.08 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.69 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.67 -31.52 70.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.023 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.95 -3.79 55.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.4 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.28 16.69 68.53 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.01 79.39 2.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.757 0.313 . . . . 0.0 110.331 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.79 -33.6 76.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.644 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.8 74.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.09 79.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.49 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.18 81.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.81 -42.29 98.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.529 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.32 97.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.682 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.7 mtt -65.16 -40.45 94.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.545 ' HE1' HG23 ' B' ' 92' ' ' THR . 90.5 mtp -61.48 -42.94 99.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.635 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.18 -44.0 98.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.48 -41.34 98.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -61.54 -47.31 86.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.455 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.18 -43.27 95.98 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.23 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.15 -43.61 95.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.335 0.588 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.58 95.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.146 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' B' ' 48' ' ' LEU . 90.2 mt -65.1 -40.61 94.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.693 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.95 -42.75 98.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.286 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.35 -39.8 92.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.104 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.461 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.11 -46.37 74.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.467 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.63 -39.68 89.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.089999999999999997 110.25 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.6 mt -60.77 -44.33 96.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.318 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.46 -43.34 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.019 0.438 . . . . 0.0 109.949 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -59.81 -44.66 93.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.245 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.7 m -56.73 -43.04 80.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.059999999999999998 109.988 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.61 -39.87 95.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.86 0.362 . . . . 0.0 110.518 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' B' ' 4' ' ' LEU . 97.3 mt -63.46 -30.6 71.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.677 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.77 -31.69 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.028 -0.533 . . . . 0.040000000000000001 110.813 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -81.42 -9.84 59.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.533 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.73 176.65 4.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 55.2 p-10 -64.07 145.29 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.518 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.38 145.4 51.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.19 164.76 54.37 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.23 102.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.64 0.79 85.48 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' B' ' 68' ' ' MET . 55.5 mtpt -120.13 134.22 55.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.635 0.255 . . . . 0.0 110.475 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' MET . . . . . 0.401 ' O ' ' O ' ' B' ' 67' ' ' LYS . 98.5 mmm -61.48 -132.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.627 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -97.19 -6.51 34.57 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.1 t -106.72 127.32 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.864 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.413 ' O ' HG23 ' B' ' 75' ' ' VAL . 36.5 p -136.18 171.99 13.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.505 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.04 -41.73 92.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.587 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.565 HG13 HG21 ' B' ' 8' ' ' VAL . 64.6 t -63.08 -45.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.607 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.68 -41.28 98.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.145 0.498 . . . . 0.11 110.981 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 71' ' ' SER . 54.8 t -60.36 -47.09 93.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.284 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -58.94 -45.98 89.12 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.819 -0.352 . . . . 1.1100000000000001 110.293 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.38 95.12 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.937 0.398 . . . . 0.059999999999999998 110.434 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -62.84 -40.68 98.18 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.09 -0.505 . . . . 1.0900000000000001 110.228 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 83' ' ' THR . 47.0 tp -56.95 -45.28 82.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.407 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -67.34 -45.97 74.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.39 -0.368 . . . . 0.080000000000000002 110.671 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.9 mt -61.59 -46.12 91.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.829 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.28 -43.39 98.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.243 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.459 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.1 p -63.62 -45.66 89.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.159 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -62.54 -49.92 73.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -57.08 -48.61 78.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.473 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.42 -44.27 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.161 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.77 -48.6 79.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.885 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -59.04 -45.34 90.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.23 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.594 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.7 mt-10 -60.59 -44.65 96.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.127 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.56 -42.97 95.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.498 . . . . 0.0 110.042 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.551 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.1 mt -60.55 -42.56 91.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.187 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.545 HG23 ' HE1' ' B' ' 41' ' ' MET . 5.8 m -57.4 -45.89 84.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.016 0.436 . . . . 0.0 109.845 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.568 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.5 mt-10 -64.27 -42.99 96.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.526 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.59 HD13 ' OE1' ' A' ' 93' ' ' GLU . 68.8 mt -59.36 -43.64 92.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.2 mt -61.14 -42.1 91.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.542 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.99 -39.2 91.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.47 -41.51 98.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.884 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -61.38 -38.45 87.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.79 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' B' ' 102' ' ' LYS . 10.4 tm-20 -63.18 -39.34 94.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.032 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.44 -40.62 97.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.76 -41.87 95.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 99' ' ' GLU . 54.6 mtpt -89.12 141.8 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.441 ' OXT' ' O ' ' B' ' 102' ' ' LYS . . . . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.513 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.58 138.23 58.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.628 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.3 mt-10 -62.22 137.6 58.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.342 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.704 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.5 mt -37.66 -36.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.455 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.33 -46.59 79.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 1.9399999999999999 110.349 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.7 mt-10 -68.39 -36.03 78.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.344 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.491 HG11 HD11 ' C' ' 58' ' ' LEU . 89.8 t -63.75 -42.03 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.704 HG23 ' O ' ' C' ' 4' ' ' LEU . 81.9 t -61.07 -43.66 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.971 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 86.8 mtp -59.34 -41.76 89.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.567 -0.531 . . . . 0.17999999999999999 109.567 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.77 -42.16 97.26 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.1 -43.29 98.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.318 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.27 -44.58 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.29999999999999999 109.706 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.9 -44.47 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.006 -0.543 . . . . 0.02 110.081 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.462 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 52.1 t-20 -60.88 -47.48 86.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.778 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.3 p -59.0 -43.88 91.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.169 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.0 -42.3 99.7 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.86 -43.63 95.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.37 -50.17 74.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.732 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.594 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 76.6 ttt180 -60.19 -46.42 89.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.7 m -54.74 -43.66 72.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.51 -42.56 98.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.721 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.555 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.77 -50.28 74.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.482 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.4 m-85 -60.09 -41.34 92.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.513 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.11 93.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.697 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.73 86.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.595 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.42 -44.97 96.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.67 -41.96 78.19 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.63 -43.93 97.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.157 0.504 . . . . 0.0 109.931 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.06 95.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.806 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.92 -31.41 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.108 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.79 -3.73 54.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.436 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.16 17.21 67.54 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.83 79.11 2.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.774 0.321 . . . . 0.0 110.258 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.49 -33.93 77.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.486 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.81 74.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.617 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.29 80.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.23 81.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.473 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.65 -42.55 99.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.641 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.9 98.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.58 -40.25 92.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.614 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.54 ' HE1' HG23 ' C' ' 92' ' ' THR . 90.3 mtp -61.78 -42.71 99.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.703 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.54 -43.63 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.453 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.79 -41.11 97.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.328 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -61.87 -47.1 86.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.455 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.32 -42.98 96.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.332 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 66.0 ttp -60.5 -43.67 96.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.301 0.572 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.6 96.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.392 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.22 -40.62 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.11 -42.32 98.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.306 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.27 -40.24 93.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.982 0.42 . . . . 0.0 110.031 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.462 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.08 -46.41 74.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.438 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.43 -39.67 88.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.089999999999999997 110.325 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.98 -44.28 97.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.26 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.13 -43.36 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.025 0.441 . . . . 0.0 109.951 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.409 HE22 HD23 ' C' ' 74' ' ' LEU . 67.2 tp60 -59.98 -44.77 94.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.276 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.899 HG21 HG22 ' D' ' 356' ' ' THR . 17.5 m -56.49 -42.94 79.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.059999999999999998 110.141 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.85 -39.75 95.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.509 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.491 HD11 HG11 ' C' ' 7' ' ' VAL . 97.3 mt -63.45 -30.71 71.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.71 -31.65 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.059999999999999998 110.76 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.541 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 -81.44 -9.6 59.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.418 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.79 177.53 3.82 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 54.7 p-10 -64.89 145.57 56.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.346 . . . . 0.0 110.455 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.56 145.28 52.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.16 164.4 54.4 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.12 102.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 0.0 110.613 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.47 1.02 85.72 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' C' ' 68' ' ' MET . 55.4 mtpt -120.08 134.17 55.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 110.589 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 68' ' ' MET . . . . . 0.403 ' O ' ' O ' ' C' ' 67' ' ' LYS . 98.4 mmm -61.57 -132.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.549 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -97.04 -6.72 34.6 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.802 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 54.1 t -106.48 126.92 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.772 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.419 ' O ' HG23 ' C' ' 75' ' ' VAL . 36.9 p -135.2 174.15 10.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.479 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.86 -41.01 97.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.726 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.562 HG13 HG21 ' C' ' 8' ' ' VAL . 57.0 t -64.19 -45.6 95.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 130.115 3.366 . . . . 0.0 110.608 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.409 HD23 HE22 ' C' ' 55' ' ' GLN . 83.6 mt -65.8 -41.1 92.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.11 110.966 177.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 71' ' ' SER . 55.8 t -60.47 -47.71 91.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.803 -0.635 . . . . 0.40000000000000002 110.235 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -58.78 -46.02 88.49 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.901 -0.32 . . . . 1.02 110.34 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.49 94.89 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.843 0.354 . . . . 0.059999999999999998 110.377 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' GLN . . . . . 0.537 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 59.1 tt0 -62.77 -40.51 97.5 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.211 -0.45 . . . . 1.0900000000000001 110.241 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.453 ' O ' HG23 ' C' ' 83' ' ' THR . 45.1 tp -57.04 -45.5 83.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.481 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -67.37 -45.7 75.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.334 -0.394 . . . . 0.080000000000000002 110.732 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.8 -46.01 91.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.844 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.34 -43.18 99.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.383 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.453 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -63.9 -45.61 88.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.143 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 77.3 p -62.68 -49.73 73.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.618 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.04 -48.58 78.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.521 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.2 tp -61.68 -44.06 97.66 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.132 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.6 79.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -58.95 -45.52 90.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.2 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.29 -44.8 95.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.104 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.65 -42.86 95.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.191 0.52 . . . . 0.0 110.02 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.555 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.3 mt -60.69 -42.51 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.365 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.54 HG23 ' HE1' ' C' ' 41' ' ' MET . 5.9 m -57.32 -45.81 83.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.041 0.448 . . . . 0.0 109.976 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.44 -42.88 95.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.488 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.568 HD13 ' OE1' ' B' ' 93' ' ' GLU . 70.0 mt -59.26 -43.91 92.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.79 -42.36 92.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.638 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -61.64 -39.39 91.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.737 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.24 -41.76 98.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.864 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -61.13 -38.54 86.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.737 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.4 tm-20 -63.07 -39.28 94.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.149 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.45 -40.67 97.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.199 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.6 -41.98 95.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.335 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' C' ' 99' ' ' GLU . 54.7 mtpt -89.2 141.61 28.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.47 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 103' ' ' ALA . . . . . 0.436 ' OXT' ' O ' ' C' ' 102' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.585 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.866 0.841 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.76 143.02 36.74 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.33 38.63 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.042 -1.036 . . . . 0.0 109.513 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.14 149.23 28.55 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.28 19.02 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.04 -1.037 . . . . 0.0 108.408 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.71 144.43 19.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.74 136.49 37.2 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.116 0.96 . . . . 0.0 110.18 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.4 mt -84.83 114.28 24.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.86 -4.32 19.36 Favored 'General case' 0 C--N 1.265 -3.078 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.818 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.48 141.84 85.9 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 119.717 -1.864 . . . . 0.0 110.616 178.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.53 -47.7 12.91 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 124.753 3.636 . . . . 0.0 114.124 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -102.1 27.6 6.5 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 116.085 -2.246 . . . . 0.0 108.836 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.91 -124.53 23.73 Favored Glycine 0 N--CA 1.497 2.755 0 C-N-CA 117.605 -2.236 . . . . 0.0 109.627 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 78.08 1.81 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.938 -1.331 . . . . 0.0 109.519 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -84.78 176.58 8.43 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.831 -1.548 . . . . 0.0 112.151 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 7.5 p -22.48 -69.24 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 117.308 2.336 . . . . 0.0 117.308 -176.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.563 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 10.4 ttt-85 -46.37 -65.96 0.6 Allowed Pre-proline 0 N--CA 1.493 1.694 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.498 -177.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.35 -32.13 61.51 Favored 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.464 1.443 . . . . 0.0 111.519 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.51 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.93 -39.03 87.22 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.221 -0.924 . . . . 0.0 109.469 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.88 -39.65 72.72 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -64.04 -39.37 93.94 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.463 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.73 -45.34 93.2 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.561 1.172 . . . . 0.0 108.675 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 319' ' ' ALA . 64.5 t -62.53 -42.28 95.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.255 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.768 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -63.82 -40.33 96.36 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.225 -0.922 . . . . 0.0 109.778 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.75 -39.72 80.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.485 -0.759 . . . . 0.0 109.595 177.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.95 91.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.525 -1.359 . . . . 0.0 109.425 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.44 -16.15 44.1 Favored 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.96 -10.48 86.19 Favored Glycine 0 N--CA 1.478 1.5 0 O-C-N 119.913 -1.742 . . . . 0.0 109.319 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.48 143.29 32.91 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.233 -1.745 . . . . 0.0 110.013 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.2 p -75.56 -30.03 59.56 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.233 -0.917 . . . . 0.0 112.377 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.76 158.52 10.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 119.857 -1.777 . . . . 0.0 112.828 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.28 35.46 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 102.877 -3.009 . . . . 0.0 102.877 171.194 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.72 136.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.441 0 CA-C-O 122.178 0.99 . . . . 0.0 109.289 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -125.02 143.14 51.06 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-O 123.142 1.449 . . . . 0.0 110.002 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.05 129.89 61.48 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.724 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 173.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.2 m -127.47 119.51 26.27 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.887 -1.133 . . . . 0.0 108.888 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.53 122.62 39.33 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.563 -0.711 . . . . 0.0 109.887 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.75 38.93 24.34 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.962 -1.086 . . . . 0.0 112.78 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 10.96 83.59 Favored Glycine 0 N--CA 1.501 3.019 0 O-C-N 119.957 -1.714 . . . . 0.0 112.565 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.27 54.56 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 177.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.71 158.6 32.83 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-O 123.801 1.762 . . . . 0.0 112.432 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.38 31.3 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 112.451 -2.159 . . . . 0.0 108.582 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.62 136.01 48.84 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 173.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.428 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.0 -6.77 47.68 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.732 -1.23 . . . . 0.0 110.703 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.89 31.79 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.669 -1.27 . . . . 0.0 109.358 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.0 t -133.05 104.13 6.38 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 122.15 0.976 . . . . 0.0 110.135 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.17 -37.87 72.77 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.002 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -58.93 -51.32 70.56 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.577 -1.327 . . . . 0.0 113.042 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.44 70.52 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 119.516 -1.99 . . . . 0.0 109.218 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.78 -33.78 75.89 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 118.998 -1.081 . . . . 0.0 109.918 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.541 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.66 -10.44 52.29 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.601 -0.687 . . . . 0.0 109.888 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 42.7 p -89.78 -7.74 53.73 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 118.099 -1.441 . . . . 0.0 110.95 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.29 159.25 15.35 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.195 -0.941 . . . . 0.0 110.212 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.86 2.96 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.59 47.41 1.72 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.631 -1.511 . . . . 0.0 107.43 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.899 HG22 HG21 ' C' ' 56' ' ' THR . 4.2 p -81.38 172.5 13.48 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.822 -1.151 . . . . 0.0 109.251 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.7 140.91 57.33 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.922 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.17 78.89 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 119.941 -1.123 . . . . 0.0 111.332 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.51 135.89 34.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.87 -1.37 . . . . 0.0 110.633 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.48 123.73 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.486 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.14 160.1 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.39 -1.724 . . . . 0.0 110.687 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.95 128.32 54.83 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.512 -1.367 . . . . 0.0 107.591 175.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.7 mt -107.81 121.38 60.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 176.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.31 50.7 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.47 -1.292 . . . . 0.0 109.714 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.81 6.42 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 118.513 -1.275 . . . . 0.0 108.041 178.115 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.29 40.16 Favored Glycine 0 C--N 1.296 -1.694 0 C-N-CA 118.024 -2.036 . . . . 0.0 110.411 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.38 -40.64 82.85 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 114.439 -0.881 . . . . 0.0 112.205 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.05 36.82 3.53 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 115.875 -2.33 . . . . 0.0 108.53 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.35 -33.61 65.82 Favored 'General case' 0 N--CA 1.52 3.074 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.437 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.68 27.55 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.633 -1.917 . . . . 0.0 111.0 -176.602 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.775 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.76 97.95 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.5 77.65 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 117.415 -1.714 . . . . 0.0 110.079 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.75 -42.3 89.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 122.24 1.019 . . . . 0.0 109.317 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.85 -47.86 76.54 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-O 122.048 0.928 . . . . 0.0 108.814 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.775 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.81 -38.36 76.56 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.699 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.53 -28.67 59.17 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.352 -1.468 . . . . 0.0 110.885 -174.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.83 -49.23 63.32 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.36 -45.2 84.63 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.513 177.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.486 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.32 85.27 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.96 -1.088 . . . . 0.0 111.518 -177.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.88 61.67 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.144 -0.972 . . . . 0.0 110.279 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.84 -32.38 46.1 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 111.325 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.03 125.52 12.31 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 124.251 1.977 . . . . 0.0 112.922 178.707 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.818 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.6 mm-40 . . . . . 0 C--N 1.277 -2.557 0 CA-C-N 111.096 -2.775 . . . . 0.0 110.082 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.593 ' O2 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -57.41 -36.43 71.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 6' ' ' GLU . 79.1 mm-40 -58.43 -77.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.457 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.0 mt -36.98 -38.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.423 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.26 -45.94 82.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.941 0.4 . . . . 1.9399999999999999 110.257 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.1 tt0 -68.76 -36.78 78.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.547 HG11 HD11 ' A' ' 58' ' ' LEU . 90.3 t -63.64 -42.86 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.38 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 4' ' ' LEU . 91.1 t -60.84 -43.82 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.924 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.54 ' CE ' HD22 ' D' ' 347' ' ' LEU . 89.5 mtp -59.47 -42.18 91.44 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.523 -0.547 . . . . 0.17999999999999999 109.523 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.62 -42.08 98.88 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.276 -1.129 . . . . 0.0 110.276 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.431 HD13 ' OE1' ' A' ' 55' ' ' GLN . 37.2 mt -62.88 -42.54 99.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.824 0.345 . . . . 0.0 110.23 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.4 -43.89 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.944 -0.571 . . . . 0.20000000000000001 109.759 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.553 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.0 mt -63.68 -44.6 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 0.01 109.973 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.05 -45.78 92.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.747 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.0 t -61.52 -44.2 97.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.969 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.69 -44.32 96.54 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.487 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.0 mm-40 -62.9 -45.55 92.0 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.29 82.16 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.578 ' NH2' ' OG1' ' A' ' 83' ' ' THR . 43.4 ttm180 -60.14 -47.21 86.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.0 p -56.43 -42.98 78.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.72 -41.95 99.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.718 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.584 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -57.05 -48.75 77.79 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -60.78 -40.44 92.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.581 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.12 94.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.786 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.76 91.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.702 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.86 -45.01 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.453 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -55.55 -42.14 74.21 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.41 -41.21 96.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.755 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.56 95.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.695 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.55 -29.09 69.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.168 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -80.81 -4.54 55.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.456 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 15.39 68.1 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -99.59 79.36 2.25 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.771 0.319 . . . . 0.0 110.333 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.72 -34.3 78.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.661 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.37 79.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 110.73 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.87 82.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.72 82.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.594 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.48 -43.43 98.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.74 98.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.33 -42.41 92.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.503 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.53 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.4 mtm -64.1 -40.22 95.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.635 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.08 -46.41 89.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.006 0.431 . . . . 0.0 110.593 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.02 -41.65 97.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.208 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 m -60.88 -45.6 93.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -60.35 -42.38 95.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.292 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.44 -41.55 97.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.227 0.537 . . . . 0.0 110.567 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.67 97.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.185 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.59 -39.54 91.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.62 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 51.3 t-20 -59.81 -42.92 94.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.286 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.82 -39.66 91.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.23 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.01 -45.79 80.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.49 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -61.64 -38.08 86.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.026 -0.534 . . . . 0.089999999999999997 110.361 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.9 mt -60.26 -43.54 96.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.0 -43.1 96.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 110.064 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.431 ' OE1' HD13 ' A' ' 11' ' ' LEU . 46.9 tp60 -60.15 -44.11 95.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.24 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.4 m -57.03 -42.66 80.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.059999999999999998 110.056 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.24 -39.49 86.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.482 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.547 HD22 HD22 ' A' ' 4' ' ' LEU . 95.8 mt -69.4 -39.37 77.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.645 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.55 -39.93 83.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.050000000000000003 110.843 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -84.15 -12.83 54.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.503 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.5 -17.22 43.05 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -86.27 111.8 20.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.46 139.15 57.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.481 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . -98.32 -7.45 55.97 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.28 111.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.677 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.31 -28.98 7.49 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 68' ' ' MET . 68.7 mttm -105.45 147.54 28.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.629 0.252 . . . . 0.0 110.504 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.59 ' SD ' HG23 ' B' ' 73' ' ' VAL . 67.2 mtt -53.22 -162.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.616 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.724 ' HG2' HG13 ' A' ' 70' ' ' VAL . 88.1 tttt -42.83 -101.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.893 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 69' ' ' LYS . 34.0 m -94.23 -143.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.708 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.9 p -132.22 166.07 22.68 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.484 HD11 HG21 ' C' ' 75' ' ' VAL . 55.6 tp -56.86 -42.29 79.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.668 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.481 ' CG1' HG21 ' A' ' 8' ' ' VAL . 71.6 t -63.35 -45.39 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.856 0.36 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.06 -41.02 97.7 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.014 0.435 . . . . 0.11 110.892 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.46 HG21 HD11 ' B' ' 72' ' ' LEU . 42.6 t -59.97 -47.53 91.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.807 -0.633 . . . . 0.38 110.218 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.78 -46.12 88.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.819 0.342 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.21 99.35 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.814 0.34 . . . . 0.059999999999999998 110.714 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.64 -38.49 90.47 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.112 -0.495 . . . . 1.0900000000000001 110.125 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 83' ' ' THR . 39.0 tp -56.89 -47.13 81.2 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.361 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.621 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 52.2 m80 -68.3 -46.39 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.738 -0.385 . . . . 0.080000000000000002 110.768 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.57 -46.41 90.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.844 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.33 -43.54 98.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.187 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.578 ' OG1' ' NH2' ' A' ' 19' ' ' ARG . 23.7 p -62.11 -45.05 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.15 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -61.8 -49.07 77.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 54.2 ttp -57.42 -47.42 81.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.546 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.16 -44.92 96.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.922 0.392 . . . . 0.0 110.163 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.14 86.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.837 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -57.66 -46.72 83.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.105 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 98.3 mt-10 -61.57 -43.08 99.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.061 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.46 -42.84 91.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.127 0.489 . . . . 0.0 109.821 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.584 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 74.7 mt -61.04 -42.34 92.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.349 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.5 m -58.47 -45.23 89.03 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.5 mt-10 -64.11 -43.43 95.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.594 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.53 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 76.5 mt -59.13 -43.75 92.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.53 HD12 ' SD ' ' A' ' 41' ' ' MET . 87.0 mt -60.88 -42.95 94.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.514 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -60.7 -40.21 91.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.49 -41.82 99.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.884 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.9 m80 -59.57 -40.19 86.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.98 -40.42 93.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.185 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.59 -34.49 78.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.201 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.3 mt -81.64 -3.44 53.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.373 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 56.66 23.06 7.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.52 -179.752 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -57.69 -36.54 72.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.592 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.2 mm-40 -58.42 -77.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.693 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.0 mt -37.05 -38.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.546 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.61 -45.65 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 1.9399999999999999 110.359 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 3' ' ' GLU . 80.7 tt0 -68.61 -37.0 79.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.24 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.553 HG11 HD11 ' B' ' 58' ' ' LEU . 87.7 t -63.59 -42.85 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.406 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.693 HG23 ' O ' ' B' ' 4' ' ' LEU . 89.5 t -60.78 -43.9 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.89 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.53 -42.04 91.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.586 -0.524 . . . . 0.17999999999999999 109.586 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.06 98.71 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 11' ' ' LEU . 37.7 mt -62.69 -42.66 99.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 110.309 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.433 HD11 ' NZ ' ' A' ' 69' ' ' LYS . 97.4 mt -63.37 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.545 . . . . 0.28999999999999998 109.704 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.51 -44.74 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.537 . . . . 0.02 109.912 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.1 -45.73 92.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.834 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -61.55 -43.97 97.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.125 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.09 96.56 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.1 mm-40 -63.13 -45.06 93.74 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.14 82.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.952 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.571 ' NH2' ' OG1' ' B' ' 83' ' ' THR . 43.6 ttm180 -60.25 -46.88 88.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.1 p -57.04 -42.89 81.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.66 -41.96 99.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.755 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -57.29 -48.67 78.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.408 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.7 m-85 -60.79 -40.46 92.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.717 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.05 93.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.753 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.12 91.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.602 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.55 -44.99 96.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.295 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -55.77 -42.14 75.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.21 -41.2 96.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.863 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.84 96.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.733 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.26 -29.2 69.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.026 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -80.95 -4.52 55.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.7 15.6 67.72 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -99.74 79.05 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.812 0.339 . . . . 0.0 110.374 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -64.62 -34.09 77.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.593 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.66 78.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.56 81.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.384 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.98 -47.5 82.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.59 -43.51 98.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 0.0 110.558 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.9 98.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.38 -42.37 92.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.522 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.3 mtm -63.96 -40.69 97.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.505 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.91 -46.34 89.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.51 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -63.83 -41.64 97.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.315 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -61.2 -45.35 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.474 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -60.39 -42.37 95.74 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.233 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 59.7 mtt -61.56 -41.45 97.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.278 0.561 . . . . 0.0 110.691 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.13 97.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.114 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.34 -39.4 92.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.739 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -60.1 -42.97 95.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.342 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.58 -39.85 92.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.175 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.8 -46.1 79.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.498 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -61.34 -38.08 85.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.089999999999999997 110.306 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.9 mt -60.32 -43.47 96.34 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.32 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.92 -43.41 96.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.063 0.459 . . . . 0.0 109.976 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.422 ' OE1' HD13 ' B' ' 11' ' ' LEU . 46.7 tp60 -59.94 -44.18 94.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.225 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 11.7 m -56.9 -43.21 81.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.059999999999999998 109.981 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.9 -39.59 85.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.87 0.367 . . . . 0.0 110.532 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.561 HD22 HD22 ' B' ' 4' ' ' LEU . 96.1 mt -69.42 -39.13 78.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.668 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.0 mt -67.66 -39.75 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.09 -0.505 . . . . 0.040000000000000001 110.742 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -84.38 -13.04 53.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.01 -17.4 43.89 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -86.33 112.33 21.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 0.0 110.572 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.16 139.62 56.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . -98.68 -7.69 55.3 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.91 111.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 110.624 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.49 -29.0 7.57 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' B' ' 68' ' ' MET . 68.8 mttm -105.7 147.85 28.08 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.579 0.228 . . . . 0.0 110.458 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' MET . . . . . 0.582 ' SD ' HG23 ' C' ' 73' ' ' VAL . 67.3 mtt -53.4 -162.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.687 ' NZ ' ' NE2' ' C' ' 76' ' ' HIS . 88.1 tttt -42.91 -101.2 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.682 HG13 ' HG2' ' B' ' 69' ' ' LYS . 34.1 m -92.47 -145.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.773 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 95.2 p -131.49 167.59 19.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.51 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 75' ' ' VAL . 60.5 tp -59.39 -41.96 90.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.571 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.59 HG23 ' SD ' ' A' ' 68' ' ' MET . 65.7 t -62.71 -44.7 99.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.585 -178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.38 -41.12 98.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.11 110.959 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.442 HG21 HD11 ' C' ' 72' ' ' LEU . 43.7 t -59.87 -46.52 93.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.768 -0.651 . . . . 0.38 110.285 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.689 ' NE2' ' NZ ' ' A' ' 69' ' ' LYS . 47.8 t60 -59.57 -46.06 90.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.91 -0.316 . . . . 1.1100000000000001 110.325 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.07 99.77 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.911 0.386 . . . . 0.059999999999999998 110.439 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.42 -38.64 90.46 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.141 -0.481 . . . . 1.0900000000000001 110.259 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 83' ' ' THR . 36.1 tp -56.83 -47.37 80.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.405 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -68.03 -46.35 71.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.080000000000000002 110.733 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.71 -46.35 90.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.772 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.34 -43.56 98.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.186 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.571 ' OG1' ' NH2' ' B' ' 19' ' ' ARG . 22.7 p -62.07 -44.86 95.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.155 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -61.79 -49.1 77.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.574 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 55.0 ttp -57.6 -47.18 82.85 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.453 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.39 -45.06 95.95 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.106 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.22 85.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.871 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.77 -46.56 84.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.322 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.451 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 98.6 mt-10 -61.36 -43.24 99.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.133 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.49 -43.01 91.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.113 0.483 . . . . 0.0 109.968 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.571 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 75.6 mt -60.81 -42.54 92.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.172 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 76.5 m -58.41 -45.27 88.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.084 0.469 . . . . 0.0 109.918 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.54 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.0 mt-10 -64.04 -43.54 95.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.475 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.4 mt -58.96 -43.63 91.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.522 HD12 ' SD ' ' B' ' 41' ' ' MET . 86.0 mt -61.12 -42.61 93.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.516 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -60.98 -40.19 92.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.723 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.66 -42.0 99.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.833 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.8 m80 -59.17 -40.29 85.15 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.05 -40.38 93.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.124 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.53 -34.4 78.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.192 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 53.9 mt -81.58 -3.67 53.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.317 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 56.49 23.3 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.607 -179.929 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -57.9 -36.33 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.0 mm-40 -58.4 -76.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.362 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.691 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.8 mt -37.09 -38.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.34 -45.84 82.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 1.9399999999999999 110.429 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' C' ' 3' ' ' GLU . 80.8 tt0 -68.45 -37.02 79.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.375 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.549 HG11 HD11 ' C' ' 58' ' ' LEU . 90.3 t -63.57 -43.03 98.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.379 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.691 HG23 ' O ' ' C' ' 4' ' ' LEU . 88.2 t -60.66 -43.81 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.031 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.52 -42.29 91.91 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.558 -0.534 . . . . 0.17999999999999999 109.558 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.5 -42.31 98.98 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' C' ' 11' ' ' LEU . 38.1 mt -62.49 -42.44 99.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 110.417 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.43 HD11 ' NZ ' ' B' ' 69' ' ' LYS . 97.4 mt -63.52 -43.96 98.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.29999999999999999 109.677 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.56 -44.75 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.509 . . . . 0.02 110.083 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.0 -45.68 92.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.783 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -61.49 -44.41 97.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.171 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.61 -44.09 97.0 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.491 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -62.97 -45.47 92.29 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.28 -48.53 81.28 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.571 ' NH2' ' OG1' ' C' ' 83' ' ' THR . 43.7 ttm180 -59.86 -46.98 87.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.3 p -57.1 -42.7 81.28 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.75 -41.89 99.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.708 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -57.24 -48.69 78.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.433 0.635 . . . . 0.0 109.327 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.451 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -60.87 -40.13 91.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.558 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.89 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.715 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.14 91.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.584 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.56 -44.83 96.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.41 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -55.96 -41.59 74.94 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.87 -40.57 95.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.895 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.41 97.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.785 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.95 -28.99 69.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.049 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -80.6 -4.9 55.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.94 15.38 67.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -99.54 79.11 2.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.776 0.322 . . . . 0.0 110.267 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.61 -33.97 77.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.54 78.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.081 0.467 . . . . 0.0 110.7 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.07 79.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.384 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.47 81.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.452 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.64 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.567 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.31 99.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.04 -42.14 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.524 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.528 ' SD ' HD12 ' C' ' 95' ' ' ILE . 74.4 mtm -64.2 -40.17 95.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.591 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.4 -46.57 88.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.431 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.78 -41.49 97.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.326 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -61.01 -45.57 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.547 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -60.34 -42.54 95.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.349 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.27 -41.63 97.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.34 0.59 . . . . 0.0 110.527 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.81 98.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.278 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.65 -39.66 91.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.665 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -59.98 -42.82 95.03 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.413 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.48 -39.96 92.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.013 0.435 . . . . 0.0 110.057 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.96 80.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.423 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.577 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 62.7 t-80 -61.53 -37.84 85.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.536 . . . . 0.089999999999999997 110.346 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.54 -43.12 97.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.291 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.09 -43.17 95.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.06 0.457 . . . . 0.0 110.023 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.436 ' OE1' HD13 ' C' ' 11' ' ' LEU . 46.6 tp60 -60.41 -44.12 96.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.249 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.827 HG21 HG22 ' D' ' 356' ' ' THR . 10.8 m -57.0 -42.92 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.059999999999999998 110.12 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.78 -39.83 86.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.507 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.564 HD22 HD22 ' C' ' 4' ' ' LEU . 96.3 mt -69.1 -39.42 79.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.35 -39.83 83.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.059999999999999998 110.849 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.533 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -84.37 -12.85 53.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.0 -17.61 43.1 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -86.38 112.11 21.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.848 0.356 . . . . 0.0 110.601 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.96 139.47 56.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 64' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . -98.43 -7.16 56.16 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.51 111.83 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 110.637 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.34 -29.35 7.21 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' C' ' 68' ' ' MET . 68.8 mttm -105.22 147.81 27.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.637 0.256 . . . . 0.0 110.562 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 68' ' ' MET . . . . . 0.503 ' O ' ' O ' ' C' ' 69' ' ' LYS . 67.2 mtt -53.51 -162.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.561 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 1.035 ' HZ1' HG21 ' D' ' 316' ' ' THR . 87.9 tttt -42.91 -101.32 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.662 HG13 ' HG2' ' C' ' 69' ' ' LYS . 34.3 m -92.53 -145.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.681 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 93.6 p -130.57 169.68 15.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.513 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.442 HD11 HG21 ' B' ' 75' ' ' VAL . 51.1 tp -59.22 -43.45 92.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.662 -177.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.582 HG23 ' SD ' ' B' ' 68' ' ' MET . 63.6 t -62.88 -45.05 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 130.194 3.397 . . . . 0.0 110.584 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.42 -40.9 96.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.115 0.483 . . . . 0.11 111.051 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.484 HG21 HD11 ' A' ' 72' ' ' LEU . 44.5 t -59.99 -47.54 91.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.732 -0.667 . . . . 0.40000000000000002 110.175 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.687 ' NE2' ' NZ ' ' B' ' 69' ' ' LYS . 47.8 t60 -59.24 -46.27 88.93 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.871 -0.332 . . . . 1.02 110.307 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.51 98.64 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.935 0.398 . . . . 0.059999999999999998 110.421 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.04 -38.71 89.74 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.269 -0.423 . . . . 1.0900000000000001 110.24 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.548 ' O ' HG23 ' C' ' 83' ' ' THR . 36.2 tp -56.68 -47.39 79.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.429 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.406 ' O ' ' OG1' ' C' ' 83' ' ' THR . 51.5 m80 -68.13 -46.33 71.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.312 -0.404 . . . . 0.080000000000000002 110.748 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.64 -46.43 90.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.16 -43.23 99.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.448 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.571 ' OG1' ' NH2' ' C' ' 19' ' ' ARG . 23.1 p -62.5 -45.02 94.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.173 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -61.64 -49.01 78.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 54.6 ttp -57.39 -47.47 81.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.53 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.23 -45.04 96.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.003 0.43 . . . . 0.0 110.208 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.23 85.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.979 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.9 -46.7 84.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.246 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.0 -43.39 98.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.959 0.409 . . . . 0.0 110.178 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.42 -43.01 91.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.196 0.522 . . . . 0.0 109.957 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.569 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 75.3 mt -60.76 -42.68 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.342 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 77.7 m -58.29 -44.95 88.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.114 0.483 . . . . 0.0 109.975 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.41 -43.33 94.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.54 HD13 ' OE1' ' B' ' 93' ' ' GLU . 75.5 mt -59.14 -43.58 92.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.528 HD12 ' SD ' ' C' ' 41' ' ' MET . 86.3 mt -60.9 -42.82 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.624 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -60.68 -40.18 91.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.743 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.7 -41.97 99.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.871 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.6 m80 -59.4 -40.34 86.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.728 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.89 -40.41 92.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.161 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.44 -34.43 78.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.28 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 mt -81.68 -3.69 54.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.341 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 56.85 22.84 7.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.448 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.519 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.947 0.879 . . . . 0.0 108.891 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.5 t80 -139.82 143.0 36.61 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.4 38.8 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.012 -1.055 . . . . 0.0 109.534 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.22 149.2 28.47 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.23 152.35 18.93 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.04 -1.037 . . . . 0.0 108.389 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.43 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.77 136.62 37.06 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.19 0.995 . . . . 0.0 110.108 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.87 114.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.93 -4.15 19.42 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.819 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.58 141.81 85.63 Favored Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 119.684 -1.885 . . . . 0.0 110.62 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.5 -47.62 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 124.733 3.622 . . . . 0.0 114.145 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.577 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 89.3 m-20 -102.26 27.64 6.55 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 116.062 -2.255 . . . . 0.0 108.734 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 70.11 -115.69 6.27 Favored Glycine 0 N--CA 1.496 2.699 0 C-N-CA 117.617 -2.23 . . . . 0.0 109.569 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.75 HD11 HD23 ' D' ' 384' ' ' LEU . 4.5 tp -138.2 58.63 1.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.937 -1.331 . . . . 0.0 109.517 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -60.09 172.63 0.76 Allowed 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 117.864 -1.535 . . . . 0.0 112.158 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 316' ' ' THR . . . . . 1.035 HG21 ' HZ1' ' C' ' 69' ' ' LYS . 32.0 p -30.13 -68.34 0.08 Allowed 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -176.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -39.07 -65.38 0.4 Allowed Pre-proline 0 N--CA 1.493 1.687 0 C-N-CA 120.077 -0.649 . . . . 0.0 112.547 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.94 -32.17 55.0 Favored 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 121.643 1.562 . . . . 0.0 111.468 175.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.501 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.83 86.66 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.462 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.553 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.97 -39.71 72.35 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.92 -39.41 94.1 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.443 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.72 -45.28 93.49 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 122.554 1.169 . . . . 0.0 108.677 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 319' ' ' ALA . 62.6 t -62.71 -42.23 95.36 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.684 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -63.84 -40.25 96.15 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.212 -0.93 . . . . 0.0 109.774 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.81 -39.74 79.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.368 -0.832 . . . . 0.0 109.567 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.03 91.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.682 -1.261 . . . . 0.0 109.418 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.24 -16.28 43.53 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.88 -10.63 86.04 Favored Glycine 0 N--CA 1.479 1.542 0 O-C-N 119.92 -1.737 . . . . 0.0 109.307 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.45 143.29 32.91 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.249 -1.736 . . . . 0.0 110.016 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.3 p -75.57 -30.03 59.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.264 -0.897 . . . . 0.0 112.363 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.77 158.56 10.17 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 119.752 -1.843 . . . . 0.0 112.806 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.99 130.21 35.29 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 102.869 -3.012 . . . . 0.0 102.869 171.256 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.68 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.436 0 CA-C-O 122.219 1.009 . . . . 0.0 109.285 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.96 143.15 51.03 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 123.104 1.431 . . . . 0.0 109.994 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.9 t -108.03 129.95 61.35 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.765 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 173.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.47 119.6 26.47 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.893 -1.129 . . . . 0.0 108.946 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.63 122.56 39.11 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.592 -0.693 . . . . 0.0 109.863 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.68 39.04 24.37 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.877 -1.139 . . . . 0.0 112.786 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.65 11.0 83.57 Favored Glycine 0 N--CA 1.503 3.128 0 O-C-N 119.972 -1.705 . . . . 0.0 112.515 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.3 54.54 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.81 158.53 33.16 Favored 'General case' 0 C--N 1.275 -2.64 0 CA-C-O 123.849 1.785 . . . . 0.0 112.403 -175.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.3 31.26 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-N 112.461 -2.154 . . . . 0.0 108.651 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.54 135.98 48.96 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 173.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.96 -6.85 48.05 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.68 -1.263 . . . . 0.0 110.72 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.4 12.93 31.48 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.684 -1.26 . . . . 0.0 109.372 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.5 t -133.07 104.1 6.35 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 122.163 0.982 . . . . 0.0 110.199 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.54 HD22 ' CE ' ' A' ' 9' ' ' MET . 44.8 tp -57.15 -37.98 72.84 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.907 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -58.89 -51.38 70.3 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.635 -1.29 . . . . 0.0 113.033 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.08 -32.41 70.46 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 119.522 -1.986 . . . . 0.0 109.245 -178.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.84 -33.7 75.8 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.937 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.533 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.6 -10.57 53.19 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.645 -0.659 . . . . 0.0 109.94 -177.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.7 p -89.68 -7.71 54.0 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 118.159 -1.417 . . . . 0.0 110.908 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.8 mt -93.44 159.35 15.28 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.209 -0.932 . . . . 0.0 110.08 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.81 2.97 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.1 mt -119.6 47.48 1.7 Allowed 'General case' 0 C--N 1.309 -1.185 0 O-C-N 120.714 -1.462 . . . . 0.0 107.405 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.827 HG22 HG21 ' C' ' 56' ' ' THR . 2.6 p -81.46 172.49 13.46 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.886 -1.126 . . . . 0.0 109.197 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -60.66 140.92 57.29 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.857 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.19 79.06 Favored Glycine 0 N--CA 1.5 2.93 0 C-N-CA 120.015 -1.088 . . . . 0.0 111.387 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.39 135.88 34.1 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 120.891 -1.358 . . . . 0.0 110.663 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.3 t -96.53 123.65 48.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.09 160.08 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 117.402 -1.719 . . . . 0.0 110.66 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 87.1 m -108.84 128.33 54.81 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 120.483 -1.385 . . . . 0.0 107.668 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.2 mt -107.84 121.36 60.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.421 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.64 147.22 50.72 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.67 153.5 47.29 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 118.482 -1.287 . . . . 0.0 109.773 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.29 110.73 6.37 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 118.547 -1.261 . . . . 0.0 108.085 178.175 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.29 -170.26 40.16 Favored Glycine 0 C--N 1.296 -1.69 0 C-N-CA 117.982 -2.056 . . . . 0.0 110.333 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.58 82.96 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-N 114.389 -0.905 . . . . 0.0 112.159 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.99 36.62 3.61 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 115.921 -2.311 . . . . 0.0 108.569 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.49 65.67 Favored 'General case' 0 N--CA 1.521 3.119 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.61 27.32 Favored 'General case' 0 N--CA 1.508 2.47 0 O-C-N 119.544 -1.973 . . . . 0.0 111.022 -176.61 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.782 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.66 97.65 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.25 -49.48 77.66 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 117.518 -1.673 . . . . 0.0 110.014 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.79 -42.28 89.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-O 122.214 1.007 . . . . 0.0 109.279 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.77 -47.97 76.11 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.078 0.942 . . . . 0.0 108.792 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.782 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.75 -38.3 76.76 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.738 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.64 -28.62 58.86 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.428 -1.42 . . . . 0.0 110.875 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.45 -39.46 71.22 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.97 -49.2 63.1 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.21 -45.24 84.01 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 118.974 -1.09 . . . . 0.0 110.523 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.41 -37.31 85.31 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.836 -1.165 . . . . 0.0 111.56 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.81 61.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.026 -1.046 . . . . 0.0 110.295 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.92 -32.21 45.52 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.564 -0.71 . . . . 0.0 111.347 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.75 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.08 125.46 12.25 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 124.313 2.006 . . . . 0.0 112.913 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.819 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.6 mm-40 . . . . . 0 C--N 1.277 -2.578 0 CA-C-N 111.088 -2.778 . . . . 0.0 110.166 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.621 ' O1 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.49 -38.47 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.557 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 6' ' ' GLU . 96.7 mt-10 -58.42 -77.74 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.44 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 8' ' ' VAL . 58.1 mt -38.08 -38.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.435 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -63.37 -48.26 78.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.917 0.389 . . . . 1.9399999999999999 110.28 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.2 tt0 -66.32 -34.63 78.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.259 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.81 -42.44 95.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.357 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 4' ' ' LEU . 93.7 t -61.42 -44.1 97.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.964 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.2 mtp -59.1 -41.85 89.1 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.499 -0.556 . . . . 0.17999999999999999 109.499 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.44 98.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 11' ' ' LEU . 34.8 mt -63.31 -42.4 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.235 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.93 -44.61 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.20000000000000001 109.799 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.31 -43.96 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.513 . . . . 0.01 109.959 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.8 -46.03 92.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.771 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 m -59.64 -43.89 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.902 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.06 -42.36 99.6 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.4 mm-40 -63.04 -44.06 96.94 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.22 -48.57 81.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.545 HH12 ' HB2' ' A' ' 87' ' ' ALA . 63.8 ttm-85 -61.15 -46.61 89.85 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 77.9 p -56.01 -43.64 77.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.25 -41.47 98.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.679 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.627 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -56.86 -47.97 79.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -59.39 -40.6 87.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.575 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.37 87.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.734 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -43.05 90.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.674 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.05 -45.17 94.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.449 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.8 -42.56 71.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.56 -41.8 90.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.771 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.44 94.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.69 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.5 -31.01 70.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.166 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.58 -5.02 59.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.47 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.33 17.53 73.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -97.78 81.12 2.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.761 0.315 . . . . 0.0 110.252 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -64.36 -33.63 76.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.22 80.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.031 0.443 . . . . 0.0 110.748 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.51 81.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.06 81.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.02 -41.75 98.42 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.578 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.68 99.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.747 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.1 mtt -65.7 -41.97 91.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.411 ' SD ' HG23 ' A' ' 92' ' ' THR . 72.1 mtm -63.81 -41.28 97.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.61 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.37 -45.45 93.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.04 0.448 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.04 -41.65 97.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.257 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.0 m -60.38 -46.23 90.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.525 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.89 -42.23 97.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.327 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.03 -42.47 99.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.214 0.53 . . . . 0.0 110.58 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.28 98.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.15 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.0 mt -65.0 -39.67 93.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.655 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -60.49 -42.11 95.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.211 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.58 -40.99 93.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.169 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.57 89.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.511 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -63.54 -37.6 87.92 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.058 -0.519 . . . . 0.089999999999999997 110.405 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.3 mt -60.64 -44.48 96.35 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.33 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.31 -42.59 94.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.069 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.437 HE22 HD23 ' A' ' 74' ' ' LEU . 66.6 tp60 -59.46 -44.21 93.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.279 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 m -56.74 -41.97 78.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.059999999999999998 110.028 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.84 -40.07 91.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.962 0.41 . . . . 0.0 110.582 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.68 -38.38 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.658 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.8 mt -71.08 -38.21 70.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.516 . . . . 0.050000000000000003 110.86 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -80.17 -16.2 55.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.435 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.44 -16.82 38.65 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 66.9 t0 -95.38 -28.32 15.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.617 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.64 90.31 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.541 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.31 176.5 35.64 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.4 114.42 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.717 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.11 -0.34 73.78 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -97.68 143.37 28.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.711 0.291 . . . . 0.0 110.447 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mmm -64.39 139.91 58.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -87.38 -8.08 57.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 70' ' ' VAL . 4.6 p -105.22 124.16 59.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.0 p -129.4 163.05 26.65 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.562 ' HG ' HD21 ' B' ' 72' ' ' LEU . 25.8 mt -57.41 -45.77 84.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.552 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.541 HG13 HG21 ' A' ' 8' ' ' VAL . 74.0 t -64.84 -46.16 92.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.543 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.437 HD23 HE22 ' A' ' 55' ' ' GLN . 83.3 mt -63.24 -41.78 99.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.005 0.431 . . . . 0.11 110.916 -178.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 71' ' ' SER . 55.5 t -59.77 -47.48 91.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.805 -0.634 . . . . 0.38 110.191 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -58.94 -45.8 89.56 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.314 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.3 94.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.502 -0.317 . . . . 0.059999999999999998 110.668 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.31 -40.17 95.42 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.176 -0.465 . . . . 1.0900000000000001 110.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 83' ' ' THR . 45.6 tp -57.0 -46.87 81.99 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.423 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.494 ' HE2' ' P ' ' D' ' 200' ' ' PO3 . 43.0 m80 -68.11 -46.4 71.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.334 -0.394 . . . . 0.080000000000000002 110.686 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.94 -46.69 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.741 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.86 -43.11 99.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.216 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.6 p -63.99 -48.62 75.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.094 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.6 m -61.19 -49.36 77.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.471 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.9 ttp -57.5 -48.12 80.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.526 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.03 -45.06 95.24 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.027 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.545 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -58.77 -47.94 82.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.819 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -57.9 -45.26 86.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.163 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.2 mt-10 -62.0 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.111 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.49 -43.61 93.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 109.844 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.627 HD12 ' HB1' ' A' ' 22' ' ' ALA . 80.4 mt -60.38 -42.3 90.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.323 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.411 HG23 ' SD ' ' A' ' 41' ' ' MET . 74.3 m -57.73 -45.19 86.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.028 0.442 . . . . 0.0 109.897 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.95 -44.22 93.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.608 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.578 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.9 mt -59.22 -44.01 92.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.39 -42.65 94.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.441 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.25 -40.55 94.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.426 HD21 ' NE2' ' B' ' 98' ' ' HIS . 35.5 mt -62.31 -41.83 98.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.864 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 66.6 m80 -60.22 -40.56 90.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.85 -38.78 92.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.177 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -63.51 -40.79 97.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.147 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.5 -42.17 95.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -84.4 132.73 34.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.496 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.497 -179.84 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -60.95 -38.88 87.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.613 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -58.19 -77.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.583 ' O ' HG23 ' B' ' 8' ' ' VAL . 58.0 mt -38.27 -38.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.413 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.35 -48.25 78.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.879 0.371 . . . . 1.9399999999999999 110.319 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.9 tt0 -66.22 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.165 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.98 -42.54 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.357 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 4' ' ' LEU . 92.9 t -61.37 -43.97 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.901 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -59.11 -41.93 89.34 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.589 -0.522 . . . . 0.17999999999999999 109.589 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.16 -42.1 98.13 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 11' ' ' LEU . 36.3 mt -62.76 -42.69 99.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.769 0.319 . . . . 0.0 110.339 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.96 -44.13 99.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.28999999999999998 109.723 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.53 -44.05 98.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.891 -0.595 . . . . 0.02 109.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.89 -45.99 92.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.83 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.4 m -59.71 -43.91 93.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.059 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.93 -42.3 99.7 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.4 mm-40 -62.89 -44.03 97.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.449 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -59.36 -48.64 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.878 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.536 HH12 ' HB2' ' B' ' 87' ' ' ALA . 63.8 ttm-85 -61.04 -46.43 90.77 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.0 p -56.34 -43.34 78.98 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.46 -41.62 98.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.723 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.633 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -56.75 -48.04 78.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.478 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.1 m-85 -59.29 -40.49 86.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.697 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.42 88.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.673 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -43.16 90.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.665 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.89 -45.39 93.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.385 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.63 -42.73 71.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.7 -41.71 91.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.907 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -43.23 93.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.678 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.74 -31.15 70.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.989 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.39 -5.11 59.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.351 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.23 17.32 74.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -97.46 81.18 2.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.776 0.322 . . . . 0.0 110.327 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.4 -33.78 76.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.555 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.39 80.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.012 0.434 . . . . 0.0 110.753 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.79 82.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.456 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.25 81.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.544 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.13 -41.72 98.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.586 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.41 99.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.628 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 63.1 mtt -65.88 -42.3 90.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.539 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.404 ' SD ' HG23 ' B' ' 92' ' ' THR . 72.7 mtm -63.52 -41.18 98.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -62.44 -45.45 93.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.51 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.16 -41.45 97.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.373 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.8 m -60.49 -46.16 91.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.485 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -61.12 -42.05 97.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.365 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.08 -42.25 99.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.225 0.536 . . . . 0.0 110.615 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.83 98.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.131 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' B' ' 18' ' ' ALA . 94.0 mt -65.36 -39.7 92.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.712 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -60.49 -41.97 95.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.329 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.75 -40.94 92.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.16 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.82 -43.11 89.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.498 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -63.03 -38.02 89.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.089999999999999997 110.289 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.1 mt -60.17 -44.59 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.342 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.21 -42.71 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 110.023 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.441 ' NE2' HD23 ' B' ' 74' ' ' LEU . 66.4 tp60 -59.42 -44.39 92.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.1 m -56.5 -42.27 78.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.059999999999999998 109.978 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.57 -40.12 90.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.948 0.404 . . . . 0.0 110.548 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.54 -38.56 87.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.751 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 86.4 mt -70.93 -38.24 71.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.035 -0.529 . . . . 0.040000000000000001 110.782 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -80.31 -16.27 55.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.601 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.19 -16.88 39.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.471 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 66.7 t0 -95.5 -28.28 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.8 90.14 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.464 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.9 176.82 36.52 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.55 114.42 4.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.635 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.5 -0.46 75.76 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -97.81 143.61 28.25 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.67 0.271 . . . . 0.0 110.472 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.6 mmm -64.66 140.64 58.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.667 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -87.81 -7.74 56.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.421 HG13 ' O ' ' B' ' 70' ' ' VAL . 5.5 p -106.2 123.88 61.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.821 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.541 ' O ' HG23 ' B' ' 75' ' ' VAL . 15.8 p -128.95 164.17 23.73 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.521 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.567 ' HG ' HD21 ' C' ' 72' ' ' LEU . 23.8 mt -59.16 -45.59 90.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.578 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.53 HG13 HG21 ' B' ' 8' ' ' VAL . 70.8 t -64.1 -45.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.574 -178.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.441 HD23 ' NE2' ' B' ' 55' ' ' GLN . 83.7 mt -63.31 -41.53 98.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.042 0.449 . . . . 0.11 110.979 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 71' ' ' SER . 53.9 t -60.01 -47.1 93.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.757 -0.656 . . . . 0.38 110.296 -179.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.407 ' O ' ' HD2' ' B' ' 80' ' ' HIS . 53.9 t-80 -59.11 -46.24 88.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.848 -0.341 . . . . 1.1100000000000001 110.245 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.25 95.4 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.839 0.352 . . . . 0.059999999999999998 110.441 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -62.26 -39.81 94.13 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.088 -0.506 . . . . 1.0900000000000001 110.298 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.549 ' O ' HG23 ' B' ' 83' ' ' THR . 46.7 tp -57.6 -46.89 83.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.347 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' B' ' 76' ' ' HIS . 26.7 m-70 -68.01 -46.43 71.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.376 -0.375 . . . . 0.080000000000000002 110.782 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.82 -47.02 88.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.63 -43.02 99.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.189 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.1 p -63.91 -49.09 74.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.131 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -60.54 -49.66 76.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.663 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.53 -47.85 80.88 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.49 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.16 -45.24 94.3 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.536 ' HB2' HH12 ' B' ' 19' ' ' ARG . . . -58.62 -47.85 82.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.892 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -57.97 -45.08 87.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.484 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -62.14 -43.04 99.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.165 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.69 -43.55 93.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.115 0.483 . . . . 0.0 110.022 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.633 HD12 ' HB1' ' B' ' 22' ' ' ALA . 80.8 mt -60.42 -42.27 90.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.253 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.404 HG23 ' SD ' ' B' ' 41' ' ' MET . 69.5 m -57.64 -45.37 85.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.046 0.45 . . . . 0.0 109.827 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.08 -44.18 93.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.579 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.6 mt -59.09 -44.02 91.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.48 -42.75 95.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.476 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.74 -40.97 94.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 97' ' ' LEU . 34.7 mt -62.25 -41.75 98.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.803 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.579 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 66.9 m80 -60.16 -40.58 90.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.753 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.69 -39.01 93.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.099 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.83 -40.58 96.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.206 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.12 -42.55 96.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.448 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -84.38 132.67 34.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.513 -179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -61.66 -38.52 88.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.4 mt-10 -58.45 -77.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.288 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.608 ' O ' HG23 ' C' ' 8' ' ' VAL . 57.6 mt -38.15 -38.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.467 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -63.57 -48.1 78.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 1.9399999999999999 110.398 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' C' ' 3' ' ' GLU . 81.0 tt0 -66.27 -34.55 78.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.313 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 96.5 t -63.87 -42.58 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.405 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.608 HG23 ' O ' ' C' ' 4' ' ' LEU . 96.9 t -61.44 -44.15 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.964 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.1 mtp -59.04 -41.49 87.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.58 -0.526 . . . . 0.17999999999999999 109.58 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.65 -41.94 97.52 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 11' ' ' LEU . 37.0 mt -62.9 -42.51 99.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.32 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.81 -44.53 99.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.013 -0.539 . . . . 0.29999999999999999 109.733 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.16 -44.45 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 0.02 110.015 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.48 -45.85 92.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.765 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 37.2 m -59.79 -44.02 94.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.42 99.68 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.497 ' O ' ' OG ' ' C' ' 20' ' ' SER . 92.2 mm-40 -62.91 -44.11 96.97 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.97 -49.26 78.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.523 HH12 ' HB2' ' C' ' 87' ' ' ALA . 64.0 ttm-85 -60.93 -46.4 90.83 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.8 p -56.01 -43.94 78.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.87 -41.76 98.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.711 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.641 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -56.51 -48.17 77.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.484 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.3 m-85 -59.43 -40.36 86.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.508 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.36 88.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.72 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.97 91.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.562 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.82 -45.47 93.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.466 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.88 -42.22 71.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.49 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.16 -41.19 92.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.901 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.22 95.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.786 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.86 -31.07 70.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.099 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.25 -5.15 59.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.451 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.35 17.57 73.51 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.76 81.38 2.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.717 0.294 . . . . 0.0 110.258 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.68 -33.77 76.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.547 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.47 79.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.01 0.434 . . . . 0.0 110.654 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.64 81.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.16 81.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.502 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.03 -41.84 98.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.691 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.72 99.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mtt -65.75 -42.09 91.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.403 ' SD ' HG23 ' C' ' 92' ' ' THR . 74.0 mtm -63.83 -41.04 97.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.586 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.4 -45.71 91.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.482 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -64.1 -41.41 97.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.326 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.54 -45.93 92.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.538 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -61.1 -41.91 97.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.325 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.41 -42.4 99.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.263 0.554 . . . . 0.0 110.493 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.05 98.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.3 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' C' ' 18' ' ' ALA . 95.0 mt -65.11 -40.13 94.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.706 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -60.53 -41.99 95.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.334 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.65 -40.84 92.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.026 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.93 -43.23 88.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.388 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.561 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 63.0 t-80 -62.78 -38.0 88.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.052 -0.522 . . . . 0.089999999999999997 110.347 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.29 -44.6 95.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.307 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 68.5 t -65.03 -42.88 95.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.993 0.425 . . . . 0.0 109.948 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.454 HE22 HD23 ' C' ' 74' ' ' LEU . 66.3 tp60 -59.31 -44.55 92.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.241 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.958 HG21 HG22 ' D' ' 356' ' ' THR . 15.3 m -56.4 -42.22 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.363 . . . . 0.059999999999999998 110.122 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.66 -40.19 91.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.47 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.3 -38.51 87.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.14 -37.8 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.059999999999999998 110.832 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.536 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -80.54 -16.43 54.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.445 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.21 -16.65 39.96 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 66.9 t0 -95.62 -28.45 14.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.5 90.41 3.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.37 176.76 35.77 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.46 114.38 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.65 -0.83 75.25 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -97.39 143.37 28.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.606 0.241 . . . . 0.0 110.613 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.54 140.86 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.627 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -88.21 -7.59 56.61 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.794 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.429 ' O ' HG13 ' C' ' 70' ' ' VAL . 5.5 p -106.01 123.2 60.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.789 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.559 ' O ' HG23 ' C' ' 75' ' ' VAL . 15.5 p -127.48 166.82 17.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.541 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.567 HD21 ' HG ' ' B' ' 72' ' ' LEU . 15.8 mt -61.34 -44.24 97.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.641 -177.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.539 HG13 HG21 ' C' ' 8' ' ' VAL . 64.4 t -65.7 -46.13 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 130.09 3.356 . . . . 0.0 110.683 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.454 HD23 HE22 ' C' ' 55' ' ' GLN . 83.7 mt -65.34 -41.11 94.26 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.191 -0.459 . . . . 0.11 110.975 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.559 HG23 ' O ' ' C' ' 71' ' ' SER . 54.3 t -60.38 -47.55 92.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.821 -0.627 . . . . 0.40000000000000002 110.2 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.419 ' O ' ' HD2' ' C' ' 80' ' ' HIS . 54.0 t-80 -59.2 -46.08 89.37 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.911 -0.315 . . . . 1.02 110.294 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.96 95.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.864 0.364 . . . . 0.059999999999999998 110.436 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.65 -39.8 95.04 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0900000000000001 110.22 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.538 ' O ' HG23 ' C' ' 83' ' ' THR . 46.0 tp -57.39 -46.91 82.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.515 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.419 ' HD2' ' O ' ' C' ' 76' ' ' HIS . 27.3 m-70 -68.2 -46.28 71.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.382 -0.372 . . . . 0.080000000000000002 110.73 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.9 -46.88 88.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.821 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.71 -42.74 99.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.538 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.3 p -64.35 -48.67 74.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.188 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 73.6 m -61.06 -49.3 77.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.57 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -57.58 -48.19 80.06 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.534 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.86 -45.07 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.154 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.523 ' HB2' HH12 ' C' ' 19' ' ' ARG . . . -58.87 -47.63 84.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -58.17 -45.11 88.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.246 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.84 -43.38 98.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 110.225 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.5 -43.5 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.227 0.537 . . . . 0.0 110.059 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.641 HD12 ' HB1' ' C' ' 22' ' ' ALA . 80.0 mt -60.41 -42.2 90.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.362 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.403 HG23 ' SD ' ' C' ' 41' ' ' MET . 74.0 m -57.8 -45.24 86.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.034 0.445 . . . . 0.0 109.917 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.07 -43.94 93.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.565 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.587 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 80.6 mt -59.31 -44.03 92.6 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.33 -42.94 95.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.639 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.7 -40.67 93.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.759 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 97' ' ' LEU . 35.5 mt -62.29 -41.69 98.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.862 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.2 m80 -60.44 -40.39 90.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.711 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.93 -38.65 91.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.133 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -63.73 -40.93 97.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.321 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.07 -42.47 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.379 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -84.24 132.69 34.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.435 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.505 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.867 0.842 . . . . 0.0 108.941 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.0 t80 -139.8 143.0 36.66 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.37 38.65 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.935 -1.103 . . . . 0.0 109.555 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.21 149.18 28.46 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.3 19.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.056 -1.027 . . . . 0.0 108.391 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.69 136.62 36.97 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 122.129 0.966 . . . . 0.0 110.14 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.98 114.3 24.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 177.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.83 -4.38 19.33 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.52 141.76 85.71 Favored Pre-proline 0 N--CA 1.5 2.04 0 O-C-N 119.769 -1.832 . . . . 0.0 110.647 178.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.41 -47.71 12.65 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 124.785 3.657 . . . . 0.0 114.139 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.561 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 95.4 m-20 -102.12 27.57 6.53 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 116.082 -2.247 . . . . 0.0 108.796 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.04 -126.83 29.46 Favored Glycine 0 N--CA 1.497 2.719 0 C-N-CA 117.669 -2.205 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 7.6 tp -126.84 78.8 1.83 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.976 -1.308 . . . . 0.0 109.528 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.81 173.25 10.16 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 117.855 -1.538 . . . . 0.0 112.152 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.8 p -23.34 -67.71 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -176.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' D' ' 316' ' ' THR . 34.3 ttt-85 -45.95 -65.54 0.65 Allowed Pre-proline 0 N--CA 1.492 1.658 0 C-N-CA 120.14 -0.624 . . . . 0.0 112.507 -177.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.64 -32.28 58.13 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 C-N-CA 121.858 1.705 . . . . 0.0 111.509 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.479 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.75 86.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 0.0 109.526 -179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.04 -39.72 72.13 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -63.98 -39.3 93.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.49 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.77 -45.3 93.31 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.56 1.172 . . . . 0.0 108.644 -177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.479 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.0 t -62.65 -42.3 95.5 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.303 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.644 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.89 -40.21 96.0 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.282 -0.886 . . . . 0.0 109.744 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.81 -39.69 79.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.477 -0.764 . . . . 0.0 109.56 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.99 91.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.634 -1.291 . . . . 0.0 109.415 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.27 -16.27 43.72 Favored 'General case' 0 N--CA 1.511 2.614 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.6 86.03 Favored Glycine 0 N--CA 1.479 1.544 0 O-C-N 119.901 -1.75 . . . . 0.0 109.309 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.4 32.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.322 -1.693 . . . . 0.0 110.006 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.6 p -75.64 -30.04 59.35 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.35 -0.844 . . . . 0.0 112.309 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.8 158.53 10.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 119.828 -1.795 . . . . 0.0 112.868 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.23 35.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 102.805 -3.035 . . . . 0.0 102.805 171.289 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.68 136.66 60.16 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 122.209 1.004 . . . . 0.0 109.294 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -125.05 143.17 51.05 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-O 123.132 1.444 . . . . 0.0 109.944 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.2 t -108.09 130.0 61.35 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.69 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 173.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.427 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.5 m -127.53 119.57 26.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.918 -1.114 . . . . 0.0 108.917 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.54 122.6 39.27 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.582 -0.699 . . . . 0.0 109.97 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.71 38.96 24.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.943 -1.098 . . . . 0.0 112.761 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 11.02 83.46 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 120.008 -1.683 . . . . 0.0 112.515 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.85 136.28 54.54 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 69.0 m -124.79 158.49 33.22 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-O 123.794 1.759 . . . . 0.0 112.39 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.6 151.43 31.51 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 112.531 -2.122 . . . . 0.0 108.659 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.66 135.98 48.75 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.74 47.4 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.59 -1.319 . . . . 0.0 110.701 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.88 31.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.67 -1.269 . . . . 0.0 109.378 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.1 m -133.03 104.13 6.38 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 122.103 0.954 . . . . 0.0 110.173 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.22 -37.92 72.97 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.954 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -58.89 -51.32 70.53 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.593 -1.317 . . . . 0.0 113.144 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.52 70.75 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 119.505 -1.997 . . . . 0.0 109.191 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.75 -33.79 75.87 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 119.004 -1.078 . . . . 0.0 109.952 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.536 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.61 -10.44 52.09 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.593 -0.692 . . . . 0.0 109.953 -177.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 38.5 p -89.77 -7.79 53.66 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.951 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 93.8 mt -93.29 159.24 15.35 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.202 -0.936 . . . . 0.0 110.211 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.909 0 N-CA-C 106.951 -2.46 . . . . 0.0 106.951 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 87.6 mt -119.59 47.38 1.72 Allowed 'General case' 0 C--N 1.309 -1.167 0 O-C-N 120.741 -1.447 . . . . 0.0 107.438 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.958 HG22 HG21 ' C' ' 56' ' ' THR . 3.2 p -81.53 172.55 13.34 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.745 -1.182 . . . . 0.0 109.19 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.67 140.89 57.31 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.823 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.16 79.0 Favored Glycine 0 N--CA 1.5 2.951 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.335 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.44 135.85 34.09 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.775 -1.426 . . . . 0.0 110.627 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.53 123.69 48.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.15 160.09 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 C-N-CA 117.433 -1.707 . . . . 0.0 110.61 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.427 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.87 128.36 54.84 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.619 -1.301 . . . . 0.0 107.592 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.85 121.39 60.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 105.442 -2.059 . . . . 0.0 105.442 176.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.57 147.19 50.69 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.4 47.18 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.799 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.76 6.4 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.06 178.183 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.33 40.2 Favored Glycine 0 C--N 1.297 -1.624 0 C-N-CA 118.002 -2.047 . . . . 0.0 110.375 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.57 82.59 Favored 'General case' 0 C--N 1.276 -2.603 0 CA-C-N 114.437 -0.882 . . . . 0.0 112.19 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.03 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 115.912 -2.315 . . . . 0.0 108.587 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.35 -33.53 65.75 Favored 'General case' 0 N--CA 1.521 3.11 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 -174.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.45 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.65 27.42 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 119.575 -1.953 . . . . 0.0 110.982 -176.569 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.779 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.79 98.02 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 178.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.59 77.29 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.493 -1.683 . . . . 0.0 109.971 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.77 -42.17 88.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 122.198 0.999 . . . . 0.0 109.315 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.93 -47.94 76.63 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 122.047 0.927 . . . . 0.0 108.702 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.779 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.2 m80 -69.79 -38.32 76.64 Favored 'General case' 0 C--N 1.291 -1.966 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.688 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.438 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.53 -28.66 59.16 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.431 -1.418 . . . . 0.0 110.908 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.5 71.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.17 63.35 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.23 84.33 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.534 177.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.35 -37.32 85.2 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.86 -1.15 . . . . 0.0 111.564 -177.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.8 61.62 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.155 -0.966 . . . . 0.0 110.28 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.94 -32.3 45.48 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.453 -0.78 . . . . 0.0 111.31 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.1 125.54 12.48 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.358 2.028 . . . . 0.0 112.896 178.66 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 78.7 mm-40 . . . . . 0 C--N 1.277 -2.545 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.09 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.494 ' P ' ' HE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.04 -36.05 72.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' GLU . 79.3 mm-40 -59.54 -75.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.436 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.1 mt -37.87 -38.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.76 -47.19 79.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 1.9399999999999999 110.223 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.9 tt0 -67.71 -37.01 81.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.276 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.452 HG11 HD11 ' A' ' 58' ' ' LEU . 89.0 t -63.93 -42.39 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.349 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 4' ' ' LEU . 75.1 t -60.47 -44.88 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.926 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.4 mtp -59.3 -41.37 88.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.534 -0.543 . . . . 0.17999999999999999 109.534 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.6 -42.58 97.3 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.23 -43.62 97.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.252 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.09 -44.6 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 0.20000000000000001 109.817 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' HD2' ' D' ' 324' ' ' LYS . 87.5 mt -63.95 -44.44 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 0.01 110.014 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 43.8 t-20 -61.25 -46.79 88.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.768 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.45 -44.18 96.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.977 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.548 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.06 -44.1 97.81 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.445 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.7 mm-40 -62.58 -44.45 96.29 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.13 78.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.83 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -61.21 -46.49 90.24 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.4 p -56.29 -43.56 78.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.9 -41.16 97.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.702 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.601 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.5 -48.21 79.86 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.49 -41.51 90.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.606 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.5 96.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.751 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.01 88.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.719 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.83 -44.87 95.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.395 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.39 -42.16 73.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.02 -41.47 96.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.775 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.08 94.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.753 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.03 -29.56 69.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.186 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -80.79 -4.76 55.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.28 14.06 75.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.88 80.0 2.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.732 0.301 . . . . 0.0 110.287 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -64.53 -34.63 78.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.659 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.2 83.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.078 0.466 . . . . 0.0 110.754 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.51 81.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.348 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.81 -47.35 85.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.545 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -61.47 -42.1 98.26 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.57 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.1 97.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.63 -39.76 91.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.501 ' CE ' HG23 ' A' ' 92' ' ' THR . 34.7 mtp -62.19 -42.56 99.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -62.38 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.499 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.64 -42.21 98.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.259 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -60.16 -46.15 90.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.591 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -60.93 -42.09 97.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.309 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.85 -42.27 98.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.17 0.51 . . . . 0.0 110.526 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.49 98.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.17 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 48' ' ' LEU . 89.2 mt -65.63 -39.35 91.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.658 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -60.96 -41.97 97.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.327 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.21 -40.12 93.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.195 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.89 -44.22 81.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.534 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.32 -38.1 88.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.065 -0.516 . . . . 0.089999999999999997 110.372 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.0 -44.01 98.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.39 -43.38 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.062 0.458 . . . . 0.0 110.033 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.588 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -60.07 -43.76 95.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.588 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 19.5 m -56.78 -42.54 79.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.059999999999999998 110.048 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.71 -38.97 89.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.54 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.615 ' HB3' HD21 ' A' ' 74' ' ' LEU . 96.6 mt -62.98 -30.17 71.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.72 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.543 HD11 ' NE2' ' A' ' 55' ' ' GLN . 96.7 mt -82.31 -32.01 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.53 . . . . 0.050000000000000003 110.864 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -78.2 -14.53 59.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.59 -39.28 2.24 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 63.3 t0 -66.09 -38.35 88.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.834 0.349 . . . . 0.0 110.618 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.9 138.37 58.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.48 -177.3 28.61 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.81 107.01 1.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.687 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.93 6.09 88.71 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -118.96 103.33 9.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.657 0.265 . . . . 0.0 110.484 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -89.5 -4.22 58.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.553 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HE2' HG21 ' B' ' 73' ' ' VAL . 98.9 mttt -68.17 141.79 55.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.965 0.412 . . . . 0.0 110.835 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 71' ' ' SER . 20.2 m -93.44 -143.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.518 ' N ' HG23 ' A' ' 70' ' ' VAL . 86.6 p -130.97 164.55 25.1 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 178.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.69 -41.9 82.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.694 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.57 ' CG1' HG21 ' A' ' 8' ' ' VAL . 71.2 t -63.01 -44.76 99.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.914 0.388 . . . . 0.0 110.514 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 58' ' ' LEU . 19.4 mt -61.6 -39.7 92.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.057 0.456 . . . . 0.11 110.935 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.433 ' HA ' HE21 ' A' ' 78' ' ' GLN . 55.9 t -58.45 -46.84 89.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.737 -0.665 . . . . 0.38 110.185 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -58.83 -44.77 90.99 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.319 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.25 98.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.814 0.34 . . . . 0.059999999999999998 110.679 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.433 HE21 ' HA ' ' A' ' 75' ' ' VAL . 33.3 mt-30 -61.84 -39.18 90.95 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0900000000000001 110.195 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 83' ' ' THR . 31.3 tp -56.52 -46.61 80.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.409 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.574 ' NE2' ' O3 ' ' D' ' 200' ' ' PO3 . 72.3 m-70 -66.82 -46.5 74.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.289 -0.414 . . . . 0.080000000000000002 110.732 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.33 -45.48 94.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.721 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.05 -43.38 98.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.17 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.5 p -62.42 -45.07 94.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.085 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -61.95 -49.17 77.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -58.02 -47.64 82.47 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.52 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.45 -44.46 97.08 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.102 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.42 85.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.872 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' NE ' HD12 ' A' ' 48' ' ' LEU . 72.9 ttp85 -58.64 -45.25 89.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.69 -43.99 97.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.092 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.52 -42.5 95.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 109.849 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.601 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.3 mt -60.83 -42.75 93.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.501 HG23 ' CE ' ' A' ' 41' ' ' MET . 68.4 m -57.35 -46.08 83.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.036 0.446 . . . . 0.0 109.933 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.9 mt-10 -63.06 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.583 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.547 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.9 mt -59.78 -42.95 94.45 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.02 -42.95 95.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.5 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.13 -39.3 92.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.071 0.462 . . . . 0.0 109.787 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.09 -41.72 98.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.843 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.547 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.8 m80 -60.76 -39.15 87.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 102' ' ' LYS . 82.8 tt0 -61.9 -39.44 91.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.185 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.44 -39.38 93.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.226 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -64.48 -41.94 96.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.365 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.4 mttt -91.42 142.38 27.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.546 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.533 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.28 -35.86 72.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.545 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.6 mm-40 -59.64 -75.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.65 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.1 mt -37.76 -38.55 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.51 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.6 -47.18 79.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.881 0.372 . . . . 1.9399999999999999 110.272 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.0 tt0 -67.64 -37.07 81.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.279 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.435 HG11 HD11 ' B' ' 58' ' ' LEU . 88.2 t -63.82 -42.46 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 4' ' ' LEU . 75.6 t -60.58 -44.63 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.868 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mtp -59.39 -41.63 89.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.54 -0.541 . . . . 0.17999999999999999 109.54 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -42.65 97.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.85 -43.69 98.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.853 0.358 . . . . 0.0 110.437 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.29 -44.53 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 0.28999999999999998 109.696 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.89 -44.35 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.02 109.893 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 44.0 t-20 -61.35 -46.59 89.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.932 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -60.79 -43.83 97.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.101 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.73 97.84 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.499 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.8 mm-40 -62.86 -44.63 95.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.38 77.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.976 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.85 -46.58 90.0 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 81.1 p -55.97 -44.09 78.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -61.36 -41.57 97.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.711 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.591 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.46 -48.06 80.18 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.66 -41.51 90.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.637 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.6 96.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.778 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.19 89.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.619 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.44 -45.29 94.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.339 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.3 -41.86 72.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.14 -41.14 96.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.873 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.87 95.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.717 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.28 -29.37 69.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.068 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.95 -4.67 55.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.06 14.17 75.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.84 79.85 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.355 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.84 -34.48 78.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.608 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -47.66 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.006 0.432 . . . . 0.0 110.848 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.62 81.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.395 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.26 86.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.578 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -61.37 -42.56 98.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 0.0 110.55 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.09 97.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.649 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 95.0 mmm -65.56 -40.19 92.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.51 ' CE ' HG23 ' B' ' 92' ' ' THR . 34.2 mtp -61.81 -42.79 99.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.548 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -62.24 -43.62 98.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.464 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.08 -42.46 99.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -60.19 -46.12 90.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.474 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.88 -41.68 96.46 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.369 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.98 -42.6 99.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.32 0.581 . . . . 0.0 110.611 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.28 98.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.171 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 48' ' ' LEU . 88.7 mt -66.1 -39.24 89.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.785 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -60.95 -41.88 97.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.361 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.34 -39.97 93.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.14 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.99 -44.49 80.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.44 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.26 -38.22 88.45 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.089999999999999997 110.222 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.7 mt -60.66 -43.95 97.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.878 0.371 . . . . 0.0 110.381 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.72 -43.24 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.068 0.461 . . . . 0.0 110.02 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.594 ' OE1' ' N ' ' B' ' 56' ' ' THR . 1.0 OUTLIER -60.3 -43.44 96.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.594 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 18.9 m -56.8 -42.93 80.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.059999999999999998 110.007 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.33 -39.0 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.916 0.389 . . . . 0.0 110.595 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.619 ' HB3' HD21 ' B' ' 74' ' ' LEU . 96.5 mt -62.94 -30.27 71.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.705 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.543 HD11 ' NE2' ' B' ' 55' ' ' GLN . 97.0 mt -82.27 -32.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.086 -0.506 . . . . 0.040000000000000001 110.721 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -78.07 -14.31 59.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.529 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.72 -39.4 2.2 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 64.1 t0 -66.04 -38.38 88.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 110.594 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.15 138.0 58.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.72 -177.29 28.31 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.39 107.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.586 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.55 6.62 88.43 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -119.52 104.32 10.21 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.658 0.266 . . . . 0.0 110.471 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' MET . . . . . 0.433 ' HG2' ' H ' ' B' ' 68' ' ' MET . 11.9 ptt? -90.4 -4.15 57.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.637 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.29 142.3 55.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.924 0.392 . . . . 0.0 110.747 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.477 HG23 ' N ' ' B' ' 71' ' ' SER . 21.8 m -92.15 -144.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.758 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.477 ' N ' HG23 ' B' ' 70' ' ' VAL . 93.5 p -130.3 165.95 21.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.53 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.31 -41.68 93.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.545 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.57 ' CG1' HG21 ' B' ' 8' ' ' VAL . 73.3 t -62.04 -44.41 98.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.6 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' B' ' 58' ' ' LEU . 19.5 mt -61.6 -39.27 90.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.167 0.508 . . . . 0.11 111.04 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.432 ' HA ' HE21 ' B' ' 78' ' ' GLN . 54.4 t -58.8 -46.35 90.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.802 -0.636 . . . . 0.38 110.256 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -59.39 -44.79 92.74 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.836 -0.346 . . . . 1.1100000000000001 110.309 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.22 98.89 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.917 0.389 . . . . 0.059999999999999998 110.417 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.432 HE21 ' HA ' ' B' ' 75' ' ' VAL . 33.1 mt-30 -62.01 -38.93 90.48 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0900000000000001 110.264 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 83' ' ' THR . 28.7 tp -56.71 -46.42 81.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.44 ' O ' ' OG1' ' B' ' 83' ' ' THR . 71.4 m-70 -66.94 -46.54 74.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.387 -0.37 . . . . 0.080000000000000002 110.725 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -60.83 -43.03 98.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.372 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.7 p -62.88 -45.1 94.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.12 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -61.89 -49.09 77.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.2 ttp -57.84 -47.85 81.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.517 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.28 -44.53 97.08 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.185 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.76 -47.47 84.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.916 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -58.63 -45.65 88.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.279 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.404 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.7 mt-10 -61.25 -44.24 97.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.128 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.15 -42.67 96.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.042 0.448 . . . . 0.0 110.042 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.591 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.1 mt -60.84 -42.7 93.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.196 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.51 HG23 ' CE ' ' B' ' 41' ' ' MET . 72.4 m -57.14 -46.21 82.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.126 0.489 . . . . 0.0 109.855 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.505 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.6 mt-10 -63.1 -43.12 99.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.533 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.3 mt -59.7 -42.92 94.08 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.21 -43.01 95.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.517 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.9 -39.23 91.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.731 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.0 mt -62.26 -41.54 98.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.799 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 68.1 m80 -60.82 -39.0 87.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.778 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' B' ' 102' ' ' LYS . 82.6 tt0 -62.16 -39.83 93.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.101 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.03 -39.3 93.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.23 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.49 -41.64 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.411 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.3 mttt -92.0 142.4 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.622 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.574 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.88 -35.84 71.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.6 mm-40 -59.85 -75.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.653 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.0 mt -37.85 -38.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.477 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.75 -47.2 79.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 1.9399999999999999 110.372 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.4 tt0 -67.45 -37.04 82.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.332 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.435 HG11 HD11 ' C' ' 58' ' ' LEU . 89.2 t -63.86 -42.32 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.385 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.653 HG23 ' O ' ' C' ' 4' ' ' LEU . 74.8 t -60.65 -44.54 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.985 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.9 mtp -59.64 -41.27 90.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.598 -0.519 . . . . 0.17999999999999999 109.598 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.7 -42.55 97.17 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' C' ' 11' ' ' LEU . 84.5 mt -63.22 -43.46 98.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.391 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.26 -44.65 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.29999999999999999 109.679 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.83 -44.29 98.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.02 110.044 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 43.4 t-20 -61.77 -46.2 90.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.837 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.94 -43.65 98.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.185 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.7 -43.41 97.87 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.481 ' O ' ' OG ' ' C' ' 20' ' ' SER . 92.7 mm-40 -63.01 -44.13 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.2 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.19 -46.38 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 79.1 p -56.09 -44.34 78.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.15 -41.41 96.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.719 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.61 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.42 -48.17 79.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.404 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -59.8 -41.48 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.542 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.24 96.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.718 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.39 89.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.537 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.52 -45.13 95.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.416 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.33 -41.98 73.16 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.14 -41.09 96.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.91 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.25 94.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.764 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.15 -29.51 69.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.057 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -80.6 -4.75 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.476 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.98 14.44 75.08 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -97.15 79.98 2.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.718 0.294 . . . . 0.0 110.213 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -64.7 -34.58 78.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.508 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.52 82.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.08 0.467 . . . . 0.0 110.716 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.41 -35.53 81.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.345 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.01 -46.9 87.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.476 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -61.61 -42.61 99.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 110.552 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.23 97.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.59 -40.1 92.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.519 ' CE ' HG23 ' C' ' 92' ' ' THR . 34.7 mtp -61.9 -42.66 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.622 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -62.49 -42.88 99.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.48 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -63.89 -42.32 97.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.282 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.01 -46.15 90.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.562 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.72 -42.19 96.79 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.395 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.7 mtp -61.74 -42.43 98.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.359 0.6 . . . . 0.0 110.53 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.32 98.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.339 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.98 -39.37 90.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -61.08 -41.68 97.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.41 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.49 -40.17 92.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.074 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.446 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.7 -44.5 81.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.364 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -62.1 -38.38 88.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.032 -0.531 . . . . 0.089999999999999997 110.301 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 53' ' ' LEU . 36.5 mt -61.0 -43.59 98.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.249 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.62 -43.29 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.066 0.46 . . . . 0.0 110.013 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' C' ' 56' ' ' THR . 1.0 OUTLIER -60.49 -43.47 96.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.236 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.865 HG21 HG22 ' D' ' 356' ' ' THR . 18.0 m -56.93 -42.59 80.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.406 . . . . 0.059999999999999998 110.173 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.5 -38.84 88.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.909 0.385 . . . . 0.0 110.533 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.643 ' HB3' HD21 ' C' ' 74' ' ' LEU . 96.6 mt -63.02 -30.15 71.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.535 HD11 ' NE2' ' C' ' 55' ' ' GLN . 96.9 mt -82.43 -32.04 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.911 -0.586 . . . . 0.059999999999999998 110.834 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.4 mm-40 -78.09 -14.56 59.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.48 -39.38 2.24 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 63.4 t0 -66.07 -38.36 88.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.802 0.334 . . . . 0.0 110.511 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.9 138.1 58.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.75 -177.27 28.27 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.6 107.29 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.73 6.36 88.56 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -119.43 104.18 10.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.643 0.259 . . . . 0.0 110.526 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -90.66 -3.79 57.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.36 142.5 55.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.801 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.461 HG23 ' N ' ' C' ' 71' ' ' SER . 22.0 m -92.36 -145.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.755 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.461 ' N ' HG23 ' C' ' 70' ' ' VAL . 99.9 p -129.33 168.03 16.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.487 -178.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.5 -42.63 96.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.674 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.505 ' CG1' HG21 ' C' ' 8' ' ' VAL . 79.1 t -62.61 -44.73 99.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 130.075 3.35 . . . . 0.0 110.661 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.643 HD21 ' HB3' ' C' ' 58' ' ' LEU . 21.4 mt -63.43 -39.29 94.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.111 0.481 . . . . 0.11 111.067 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.428 ' HA ' HE21 ' C' ' 78' ' ' GLN . 55.8 t -58.76 -47.29 89.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.757 -0.656 . . . . 0.40000000000000002 110.213 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -59.1 -44.81 91.97 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.862 -0.335 . . . . 1.02 110.365 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.37 98.66 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.797 0.332 . . . . 0.059999999999999998 110.379 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 78' ' ' GLN . . . . . 0.428 HE21 ' HA ' ' C' ' 75' ' ' VAL . 33.1 mt-30 -61.82 -39.16 90.81 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0900000000000001 110.265 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.499 ' O ' HG23 ' C' ' 83' ' ' THR . 29.7 tp -56.62 -46.4 80.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.496 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.44 ' O ' ' OG1' ' C' ' 83' ' ' THR . 72.0 m-70 -67.06 -46.39 74.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.391 -0.368 . . . . 0.080000000000000002 110.732 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.5 -45.34 94.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.825 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.03 -43.02 99.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.382 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.499 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.1 p -62.98 -44.82 94.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.133 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.05 -49.22 76.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.57 -48.0 80.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.546 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.4 -44.51 97.02 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.71 -47.54 84.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.923 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -58.6 -45.45 89.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.21 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.2 -44.43 97.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.96 0.41 . . . . 0.0 110.224 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.12 -42.86 96.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.157 0.503 . . . . 0.0 110.032 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.61 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.9 mt -60.54 -42.95 93.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.519 HG23 ' CE ' ' C' ' 41' ' ' MET . 71.5 m -56.98 -45.77 82.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.05 0.453 . . . . 0.0 109.963 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.63 -42.96 98.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.458 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.545 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.1 mt -59.65 -43.0 94.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.07 -42.91 94.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.546 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -62.23 -39.02 91.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.11 0.481 . . . . 0.0 109.73 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.7 mt -62.24 -41.4 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.934 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.4 m80 -61.16 -38.65 87.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.767 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.9 tt0 -62.4 -39.71 94.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.092 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.21 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.5 -41.88 96.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.377 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.2 mttt -91.8 142.38 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.53 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.876 0.846 . . . . 0.0 108.901 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.5 t80 -139.78 143.03 36.72 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.96 156.28 38.58 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.001 -1.062 . . . . 0.0 109.58 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.1 149.19 28.54 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.39 18.91 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.041 -1.037 . . . . 0.0 108.314 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.89 144.35 19.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.72 136.62 37.0 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 122.199 1.0 . . . . 0.0 110.1 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.93 114.3 24.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.85 -4.28 19.4 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.812 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.85 85.78 Favored Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 119.693 -1.879 . . . . 0.0 110.593 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.5 -47.73 12.82 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 124.737 3.625 . . . . 0.0 114.104 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -102.09 27.56 6.53 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 116.14 -2.224 . . . . 0.0 108.786 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.69 -119.82 11.74 Favored Glycine 0 N--CA 1.497 2.714 0 C-N-CA 117.683 -2.199 . . . . 0.0 109.573 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' D' ' 314' ' ' LEU . 3.1 tp -137.94 79.41 1.74 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.931 -1.334 . . . . 0.0 109.53 -177.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -86.67 179.27 6.82 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 117.87 -1.532 . . . . 0.0 112.221 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.444 ' H ' HG23 ' D' ' 316' ' ' THR . 15.6 p -21.99 -67.31 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 -177.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.548 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.2 ttt-85 -49.45 -65.83 0.74 Allowed Pre-proline 0 N--CA 1.493 1.685 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.544 -176.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.65 -32.25 58.03 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.776 1.651 . . . . 0.0 111.529 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.502 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.84 86.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.176 -0.953 . . . . 0.0 109.514 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.67 72.5 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.97 -39.41 94.06 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 117.982 -1.487 . . . . 0.0 109.451 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.25 93.67 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.614 1.197 . . . . 0.0 108.739 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.502 HG23 ' O ' ' D' ' 319' ' ' ALA . 60.4 t -62.73 -42.2 95.28 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.66 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.402 ' HD2' HD13 ' A' ' 13' ' ' ILE . 68.3 mttt -63.98 -40.24 95.93 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.23 -0.919 . . . . 0.0 109.716 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.528 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.66 80.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.397 -0.814 . . . . 0.0 109.552 177.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.12 -43.96 91.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.528 -1.357 . . . . 0.0 109.439 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.39 -16.18 43.9 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.58 86.11 Favored Glycine 0 N--CA 1.478 1.48 0 O-C-N 119.862 -1.773 . . . . 0.0 109.323 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.42 143.33 32.84 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.224 -1.75 . . . . 0.0 109.997 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.3 p -75.58 -30.08 59.52 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.142 -0.974 . . . . 0.0 112.358 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.73 158.56 10.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 119.832 -1.792 . . . . 0.0 112.799 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.03 130.21 35.28 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 102.846 -3.02 . . . . 0.0 102.846 171.245 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.61 136.6 60.34 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.403 0 CA-C-O 122.152 0.977 . . . . 0.0 109.302 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.4 m -124.97 143.29 50.97 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-O 123.181 1.467 . . . . 0.0 109.971 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.433 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.18 129.94 61.58 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.697 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 173.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.5 m -127.46 119.57 26.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.837 -1.165 . . . . 0.0 108.972 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.62 122.58 39.16 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.569 -0.707 . . . . 0.0 109.848 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.76 38.96 24.43 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.885 -1.134 . . . . 0.0 112.749 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.87 83.69 Favored Glycine 0 N--CA 1.501 3.02 0 O-C-N 119.874 -1.766 . . . . 0.0 112.548 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.74 136.3 54.49 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.77 158.52 33.11 Favored 'General case' 0 C--N 1.274 -2.693 0 CA-C-O 123.798 1.761 . . . . 0.0 112.436 -176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.43 31.46 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.516 -2.129 . . . . 0.0 108.555 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 135.97 48.77 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.547 -2.02 . . . . 0.0 105.547 173.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.433 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.76 47.63 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.699 -1.251 . . . . 0.0 110.718 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.52 13.03 31.37 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.666 -1.272 . . . . 0.0 109.396 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.6 t -133.13 104.21 6.39 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.177 0.989 . . . . 0.0 110.054 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.9 tp -57.28 -37.95 73.17 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.954 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -58.86 -51.36 70.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.588 -1.32 . . . . 0.0 113.08 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.34 70.34 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.606 -1.934 . . . . 0.0 109.236 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.85 -33.71 75.83 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 118.959 -1.097 . . . . 0.0 109.92 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.41 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.64 -10.5 52.78 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.656 -0.653 . . . . 0.0 109.874 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 43.1 p -89.82 -7.66 53.84 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 118.117 -1.433 . . . . 0.0 110.901 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.36 159.33 15.3 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.141 -0.974 . . . . 0.0 110.165 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.83 2.97 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.4 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.63 -1.512 . . . . 0.0 107.379 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.865 HG22 HG21 ' C' ' 56' ' ' THR . 4.3 p -81.44 172.5 13.45 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 118.749 -1.181 . . . . 0.0 109.248 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.67 140.89 57.3 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.884 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.18 78.79 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.372 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.47 135.92 34.05 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.914 -1.345 . . . . 0.0 110.56 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.52 123.75 48.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.0 m -112.25 160.06 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 C-N-CA 117.377 -1.729 . . . . 0.0 110.565 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.87 128.33 54.82 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.493 -1.38 . . . . 0.0 107.593 175.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.86 121.42 60.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.24 50.7 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.34 47.15 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 118.538 -1.265 . . . . 0.0 109.772 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.12 110.8 6.45 Favored 'General case' 0 C--N 1.287 -2.145 0 C-N-CA 118.613 -1.235 . . . . 0.0 108.061 178.203 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.33 40.11 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.02 -2.038 . . . . 0.0 110.404 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.62 82.56 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 114.452 -0.874 . . . . 0.0 112.187 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.07 36.87 3.51 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 118.925 -2.36 . . . . 0.0 108.553 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.46 -33.46 65.94 Favored 'General case' 0 N--CA 1.523 3.199 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 -174.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.454 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.67 27.09 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.607 -1.933 . . . . 0.0 110.982 -176.583 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.774 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.71 97.82 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.55 77.46 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.499 -1.68 . . . . 0.0 110.023 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.79 -42.25 89.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 CA-C-O 122.229 1.014 . . . . 0.0 109.299 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.91 -47.83 76.75 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-O 122.019 0.914 . . . . 0.0 108.752 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.774 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.8 -38.36 76.59 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.673 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.1 mt -75.64 -28.64 58.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.383 -1.448 . . . . 0.0 110.842 -174.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.48 71.3 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.452 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.3 62.85 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.528 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.25 -45.16 84.23 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.519 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.4 -37.39 85.61 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.899 -1.125 . . . . 0.0 111.506 -177.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.8 61.65 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.097 -1.002 . . . . 0.0 110.275 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.84 -32.35 46.06 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.555 -0.715 . . . . 0.0 111.327 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.11 125.52 12.43 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 124.314 2.007 . . . . 0.0 112.856 178.741 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.812 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 75.0 mm-40 . . . . . 0 C--N 1.276 -2.59 0 CA-C-N 111.144 -2.753 . . . . 0.0 110.13 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.574 ' O3 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.21 137.83 58.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 6' ' ' GLU . 96.8 mt-10 -61.28 134.17 56.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.424 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 8' ' ' VAL . 99.8 mt -37.39 -36.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.88 -46.21 82.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.893 0.378 . . . . 1.9399999999999999 110.303 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.3 tt0 -68.27 -36.24 79.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.218 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.83 -42.42 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.431 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 4' ' ' LEU . 79.2 t -61.16 -44.12 97.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.939 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -58.87 -42.29 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.427 -0.583 . . . . 0.17999999999999999 109.427 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.57 98.5 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.4 -43.09 98.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.269 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.09 -44.35 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.20000000000000001 109.762 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.7 -43.87 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.964 -0.562 . . . . 0.01 109.99 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.51 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.8 t-20 -60.83 -46.19 91.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.786 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -59.47 -44.38 93.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.967 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -62.68 -41.7 99.79 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.4 mm-40 -63.27 -43.54 97.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.13 -48.76 80.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.923 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -61.33 -46.59 89.63 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.6 p -55.43 -44.24 76.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.28 -41.58 98.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.705 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.13 -48.94 77.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.69 -40.06 86.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.585 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.17 94.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.736 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.44 90.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.669 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.53 -45.35 94.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.483 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.7 -42.13 74.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.9 -42.22 93.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.773 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.8 93.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.71 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.61 -30.02 69.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.178 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -83.01 -5.14 58.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.419 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.24 18.18 67.5 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -99.24 79.6 2.34 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.81 0.338 . . . . 0.0 110.267 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.02 -33.83 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.632 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.49 79.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.079 0.466 . . . . 0.0 110.778 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.59 81.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -48.31 80.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.549 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.89 -42.22 98.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.618 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.743 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.1 mtt -65.41 -42.25 92.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.516 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.85 -41.62 97.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.693 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.23 -46.72 87.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.599 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.07 -41.16 99.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.234 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -60.58 -45.63 93.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -61.0 -42.51 98.6 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.12 -43.93 98.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.164 0.507 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.19 99.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.221 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' A' ' 18' ' ' ALA . 96.5 mt -65.52 -39.82 92.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.94 -41.58 96.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.308 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.74 -40.3 91.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.231 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.51 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.62 -43.76 83.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.474 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -62.51 -38.17 88.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.089999999999999997 110.376 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.5 mt -60.78 -44.64 96.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.21 -43.23 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.026 0.441 . . . . 0.0 109.976 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' NE2' HD23 ' A' ' 74' ' ' LEU . 64.6 tp60 -59.99 -43.34 95.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.242 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 m -56.84 -42.4 79.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.059999999999999998 110.05 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.26 -40.51 94.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.451 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.532 HD22 HD22 ' A' ' 4' ' ' LEU . 95.6 mt -67.62 -39.21 84.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.751 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.23 -39.52 79.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 0.050000000000000003 110.867 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -81.1 -13.33 58.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.503 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.96 -20.59 27.91 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -94.76 -25.45 16.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.843 0.354 . . . . 0.0 110.606 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.26 89.08 5.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.466 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.34 179.26 36.1 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -69.21 118.45 12.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.837 0.351 . . . . 0.0 110.698 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.07 -0.29 83.79 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -103.46 149.43 24.84 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.679 0.276 . . . . 0.0 110.405 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -71.0 140.1 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -87.98 -9.15 54.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.949 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.429 HG11 ' HB2' ' B' ' 76' ' ' HIS . 21.8 t -106.14 125.79 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.736 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.4 p -131.48 163.81 27.15 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 178.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 72' ' ' LEU . 74.9 mt -57.0 -45.35 83.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.61 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.567 HG13 HG21 ' A' ' 8' ' ' VAL . 69.1 t -65.45 -47.14 87.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 110.52 -179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD23 ' NE2' ' A' ' 55' ' ' GLN . 83.9 mt -63.72 -41.64 98.04 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 120.994 0.426 . . . . 0.11 110.95 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 71' ' ' SER . 49.8 t -60.53 -47.77 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.79 -0.641 . . . . 0.38 110.122 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -59.43 -45.67 90.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.759 0.314 . . . . 0.0 110.328 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.3 96.11 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.477 -0.329 . . . . 0.059999999999999998 110.65 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.23 -40.12 96.54 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0900000000000001 110.139 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 83' ' ' THR . 50.6 tp -57.25 -44.91 84.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.37 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.635 ' CE1' ' O2 ' ' D' ' 200' ' ' PO3 . 61.5 m170 -67.19 -47.34 71.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.295 -0.411 . . . . 0.080000000000000002 110.738 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.31 -45.77 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.752 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.83 -43.93 97.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.163 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.2 p -64.48 -48.54 74.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.099 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.07 -49.09 77.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.43 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.54 -48.31 79.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.691 0.282 . . . . 0.0 110.545 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.65 -44.98 95.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.113 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.64 84.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -58.0 -45.74 86.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.084 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.39 -43.53 98.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.041 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.55 -43.05 95.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.175 0.512 . . . . 0.0 109.832 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.625 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.2 mt -59.9 -42.09 88.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.0 m -57.87 -45.18 86.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.72 -43.97 94.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.566 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 82.6 mt -59.14 -43.68 92.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.41 -42.71 94.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.56 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -61.18 -39.11 88.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.6 -41.62 99.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.948 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.0 m80 -59.76 -40.18 87.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 102' ' ' LYS . 84.0 tt0 -62.5 -40.12 95.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.163 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.13 -39.47 94.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.21 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.03 -42.62 97.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' GLU . 88.6 tttt -90.32 131.95 35.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.593 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.54 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.33 137.58 58.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 6' ' ' GLU . 96.8 mt-10 -61.2 134.28 56.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.431 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.646 ' O ' HG23 ' B' ' 8' ' ' VAL . 99.3 mt -37.62 -36.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.489 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.09 -46.07 82.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 1.9399999999999999 110.383 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.2 tt0 -68.09 -36.06 79.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.238 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.08 -42.59 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.321 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 4' ' ' LEU . 81.2 t -61.14 -44.1 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.896 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.8 -42.27 88.71 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.482 -0.562 . . . . 0.17999999999999999 109.482 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.42 -41.36 98.08 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.38 -43.13 98.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 110.375 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.15 -44.33 99.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.042 -0.526 . . . . 0.28999999999999998 109.641 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.55 -44.21 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.916 -0.584 . . . . 0.02 109.916 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.523 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.6 t-20 -60.82 -46.06 92.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.96 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -59.11 -44.43 91.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.091 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.66 99.84 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.496 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.3 mm-40 -63.0 -43.66 98.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.432 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -59.02 -48.86 80.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.951 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -61.23 -46.55 89.97 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 79.5 p -55.63 -44.04 76.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.2 -41.74 98.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.733 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.622 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.08 -48.69 77.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.91 -40.1 87.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.663 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.12 93.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.675 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.99 90.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.641 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.84 -45.42 93.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.351 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.87 -41.56 74.57 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.44 -41.89 94.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.901 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.7 94.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.721 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.66 -30.34 69.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.081 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -82.92 -4.82 58.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.449 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.96 18.02 68.55 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -99.04 79.78 2.39 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.804 0.335 . . . . 0.0 110.365 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.32 -33.87 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.598 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.45 79.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.031 0.443 . . . . 0.0 110.781 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.34 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.378 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.17 80.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.579 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.74 -42.42 98.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.572 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.41 98.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.689 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 62.6 mtt -65.39 -42.36 92.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.61 -41.93 98.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -62.19 -46.6 88.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.436 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.05 -41.15 99.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.299 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.2 m -60.66 -45.59 93.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.473 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -61.22 -42.28 98.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.282 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 54.1 ttp -60.98 -44.2 97.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.346 0.593 . . . . 0.0 110.665 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.11 98.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.171 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' B' ' 18' ' ' ALA . 95.8 mt -65.76 -39.51 91.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.726 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.04 -41.83 97.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.386 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.59 -40.59 92.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.103 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.523 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.2 -44.33 84.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.49 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -61.96 -38.15 87.42 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.089999999999999997 110.332 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.94 -44.43 97.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.341 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.52 -43.05 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.987 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.48 ' NE2' HD23 ' B' ' 74' ' ' LEU . 63.9 tp60 -60.06 -43.03 95.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.265 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.4 m -56.97 -42.63 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.059999999999999998 109.994 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.06 -40.47 93.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.942 0.401 . . . . 0.0 110.548 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.532 HD22 HD22 ' B' ' 4' ' ' LEU . 95.3 mt -67.95 -38.71 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.66 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.75 -39.63 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.142 -0.481 . . . . 0.040000000000000001 110.779 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -80.98 -13.58 58.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.544 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.31 -20.96 28.49 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -94.82 -25.33 16.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.524 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.4 88.98 5.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.394 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.4 179.09 35.94 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -69.08 118.62 12.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.62 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.79 0.26 84.29 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.91 149.26 25.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.66 0.267 . . . . 0.0 110.447 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -71.07 140.61 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -88.55 -8.45 54.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' C' ' 76' ' ' HIS . 17.6 t -107.37 125.47 63.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.836 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.536 ' O ' HG23 ' B' ' 75' ' ' VAL . 99.2 p -130.9 165.72 22.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.57 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.49 -45.52 91.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.517 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.553 HG13 HG21 ' B' ' 8' ' ' VAL . 69.8 t -64.12 -46.24 94.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.608 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.48 HD23 ' NE2' ' B' ' 55' ' ' GLN . 83.1 mt -64.37 -41.43 96.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.11 110.978 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 71' ' ' SER . 50.8 t -60.58 -47.2 93.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.79 -0.641 . . . . 0.38 110.3 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.598 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 11.8 t-160 -59.25 -46.65 87.94 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.849 -0.341 . . . . 1.1100000000000001 110.297 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.61 97.41 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.913 0.387 . . . . 0.059999999999999998 110.479 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -62.66 -41.0 98.83 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.072 -0.513 . . . . 1.0900000000000001 110.239 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 83' ' ' THR . 51.1 tp -56.83 -44.85 82.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.417 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.598 ' CE1' ' NE2' ' B' ' 76' ' ' HIS . 59.7 m170 -67.1 -47.26 71.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.375 -0.375 . . . . 0.080000000000000002 110.751 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.36 -45.91 92.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -62.72 -43.64 98.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.189 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.468 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.7 p -64.81 -48.33 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.151 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.02 -49.16 77.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -57.72 -48.27 80.06 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.376 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.68 -44.97 95.94 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.088 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.71 84.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.885 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.05 -45.56 86.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.272 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.47 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.143 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.85 -42.57 94.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 0.0 109.96 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.622 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.0 mt -60.3 -42.38 90.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.204 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.7 m -57.52 -44.89 85.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.091 0.472 . . . . 0.0 109.915 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.98 -43.81 94.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.474 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 83.1 mt -59.33 -43.62 92.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.45 -42.93 95.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.574 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -60.46 -39.83 89.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.721 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 97' ' ' LEU . 84.4 mt -62.25 -42.3 99.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.842 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.0 m80 -59.06 -40.06 83.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 102' ' ' LYS . 83.6 tt0 -62.72 -39.99 95.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.048 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.33 -39.24 93.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.99 -42.67 97.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.384 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' B' ' 99' ' ' GLU . 88.6 tttt -90.63 131.39 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.62 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.22 137.69 58.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.607 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.8 mt-10 -61.36 134.45 56.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.401 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.658 ' O ' HG23 ' C' ' 8' ' ' VAL . 99.5 mt -37.7 -36.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.403 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.02 -46.14 82.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.347 . . . . 1.9399999999999999 110.373 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' C' ' 3' ' ' GLU . 81.6 tt0 -68.31 -36.06 78.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.318 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 70.7 t -63.83 -42.65 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.346 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.658 HG23 ' O ' ' C' ' 4' ' ' LEU . 80.5 t -61.05 -44.24 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.016 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.74 -42.23 88.33 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.17999999999999999 109.587 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.57 98.4 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.3 -43.27 98.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.957 0.408 . . . . 0.0 110.457 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.9 -44.59 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.558 . . . . 0.29999999999999999 109.677 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.25 -43.92 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.02 110.064 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.4 t-20 -61.03 -46.09 92.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.796 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.34 -43.98 92.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.18 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.81 99.62 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.485 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.3 mm-40 -63.11 -43.28 98.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.433 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.39 -49.38 78.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.786 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -60.45 -47.19 87.2 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 80.8 p -54.85 -44.47 73.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.06 -41.86 98.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.701 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.644 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.05 -48.83 77.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -59.64 -40.41 87.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.532 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.98 93.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.699 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.5 90.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.566 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.45 -45.7 93.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.411 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.47 -41.96 73.69 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.14 -41.89 93.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.969 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.5 94.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.788 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.86 -29.88 69.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.13 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -83.25 -4.92 58.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.474 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.25 18.1 67.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -99.37 79.51 2.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.75 0.31 . . . . 0.0 110.284 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.02 -34.17 77.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.558 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.39 80.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 0.0 110.685 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.7 -35.2 80.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.417 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.73 -48.31 79.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.467 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.67 -42.75 99.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.61 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.29 99.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.742 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.5 mtt -65.68 -42.16 91.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.06 -41.27 97.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.668 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.64 -46.98 85.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.428 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.55 -41.68 99.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.303 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.6 m -60.15 -45.76 91.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.469 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -61.03 -42.42 98.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.369 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 54.3 ttp -61.06 -43.93 98.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.88 98.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' C' ' 18' ' ' ALA . 96.9 mt -65.96 -39.56 90.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.729 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.14 -41.91 97.59 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.319 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.58 -40.36 92.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.029 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.496 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.43 -44.02 84.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.447 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.553 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 85.3 t60 -62.31 -38.04 87.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.089999999999999997 110.322 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.11 -44.19 97.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.311 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.56 -42.92 94.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.023 0.44 . . . . 0.0 109.959 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.476 ' NE2' HD23 ' C' ' 74' ' ' LEU . 63.5 tp60 -60.07 -43.68 95.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.257 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.898 HG21 HG22 ' D' ' 356' ' ' THR . 15.5 m -56.56 -42.81 79.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.059999999999999998 110.113 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.99 -40.49 93.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.468 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.518 HD22 HD22 ' C' ' 4' ' ' LEU . 95.3 mt -67.56 -38.94 84.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.8 -39.48 77.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.059999999999999998 110.84 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.504 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 -81.08 -13.26 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.97 -20.38 28.5 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -95.09 -25.41 16.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.511 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.45 89.1 5.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.435 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.49 179.36 35.95 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -69.42 118.84 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.819 0.342 . . . . 0.0 110.583 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.55 0.21 83.32 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.75 149.38 25.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.65 0.262 . . . . 0.0 110.543 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 67.1 mtt -71.18 140.9 50.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.549 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -88.88 -8.54 54.08 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 18.2 t -106.93 124.94 62.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.774 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.567 ' O ' HG23 ' C' ' 75' ' ' VAL . 97.6 p -129.58 167.96 17.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.496 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' C' ' 72' ' ' LEU . 41.5 mt -61.18 -44.57 97.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.685 -177.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.574 HG13 HG21 ' C' ' 8' ' ' VAL . 74.5 t -65.47 -46.77 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 130.179 3.392 . . . . 0.0 110.604 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.476 HD23 ' NE2' ' C' ' 55' ' ' GLN . 78.4 mt -66.52 -40.93 89.42 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.207 -0.451 . . . . 0.11 110.924 178.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.567 HG23 ' O ' ' C' ' 71' ' ' SER . 51.6 t -61.07 -47.95 91.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.792 -0.64 . . . . 0.40000000000000002 110.147 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.595 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 11.8 t-160 -59.1 -46.48 88.19 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.891 -0.324 . . . . 1.02 110.274 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.25 96.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.908 0.385 . . . . 0.059999999999999998 110.477 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 78' ' ' GLN . . . . . 0.576 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 58.5 tt0 -62.92 -40.7 98.4 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0900000000000001 110.232 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.479 ' O ' HG23 ' C' ' 83' ' ' THR . 50.1 tp -56.96 -45.02 83.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.444 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.595 ' CE1' ' NE2' ' C' ' 76' ' ' HIS . 58.7 m170 -67.05 -47.08 72.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.323 -0.399 . . . . 0.080000000000000002 110.69 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.67 -45.8 92.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.8 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -62.67 -43.49 98.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.393 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.479 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.5 p -65.01 -48.43 73.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.167 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -61.85 -49.38 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.603 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.46 -48.39 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.484 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.54 -44.96 96.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.2 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.11 -47.95 83.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.97 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -57.69 -45.83 85.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.218 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -61.06 -43.71 98.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.912 0.387 . . . . 0.0 110.153 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.61 -42.89 95.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.084 0.469 . . . . 0.0 109.996 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.644 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.1 mt -59.91 -42.26 88.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.347 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 78.4 m -57.64 -45.08 85.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.107 0.479 . . . . 0.0 110.027 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.8 -43.71 95.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.459 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 82.2 mt -59.52 -43.67 93.37 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.17 -43.03 95.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.551 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -60.52 -39.85 89.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.721 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' C' ' 97' ' ' LEU . 84.2 mt -62.01 -42.23 98.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.91 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 69.9 m80 -59.19 -40.09 84.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.707 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.3 tt0 -62.77 -39.83 95.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.116 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.33 -39.14 93.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.187 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.39 -42.66 96.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' C' ' 99' ' ' GLU . 88.6 tttt -90.58 131.35 36.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.498 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.533 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.531 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.856 0.836 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 143.02 36.72 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.02 156.34 38.61 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.014 -1.054 . . . . 0.0 109.501 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.22 28.51 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.92 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.009 -1.057 . . . . 0.0 108.379 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.3 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.67 136.57 37.0 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 122.183 0.992 . . . . 0.0 110.133 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.96 114.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -107.0 -4.21 19.26 Favored 'General case' 0 C--N 1.265 -3.079 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.82 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.59 141.84 85.63 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 119.739 -1.85 . . . . 0.0 110.59 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -45.54 -47.64 13.02 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 124.771 3.648 . . . . 0.0 114.131 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.553 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 98.3 m-20 -102.11 27.5 6.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 116.066 -2.254 . . . . 0.0 108.702 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.0 -130.17 32.85 Favored Glycine 0 N--CA 1.497 2.731 0 C-N-CA 117.702 -2.19 . . . . 0.0 109.599 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.765 HD11 HD23 ' D' ' 384' ' ' LEU . 3.9 tp -122.87 76.03 1.33 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.954 -1.321 . . . . 0.0 109.495 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -81.87 175.82 10.09 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 117.957 -1.497 . . . . 0.0 112.128 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.491 HG23 ' O3 ' ' D' ' 200' ' ' PO3 . 47.9 p -24.24 -70.68 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.255 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -176.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.439 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 8.1 ttt-85 -44.84 -64.81 0.75 Allowed Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.525 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.69 -32.06 57.99 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.031 1.821 . . . . 0.0 111.466 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.449 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.06 -38.83 86.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.223 -0.923 . . . . 0.0 109.489 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.7 72.28 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.89 -39.43 94.17 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.031 -1.468 . . . . 0.0 109.496 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.7 -45.3 93.4 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.583 1.182 . . . . 0.0 108.681 -177.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.449 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.9 t -62.72 -42.19 95.23 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.267 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.639 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -63.89 -40.32 96.24 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.327 -0.858 . . . . 0.0 109.762 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.528 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.74 -39.76 80.18 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.503 -0.748 . . . . 0.0 109.525 177.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.02 91.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.637 -1.29 . . . . 0.0 109.455 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.32 -16.08 42.27 Favored 'General case' 0 N--CA 1.511 2.587 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.01 -10.51 86.22 Favored Glycine 0 N--CA 1.478 1.439 0 O-C-N 119.896 -1.753 . . . . 0.0 109.351 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.49 143.3 32.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.258 -1.731 . . . . 0.0 110.045 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.57 -30.09 59.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.249 -0.907 . . . . 0.0 112.32 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.55 10.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 119.826 -1.796 . . . . 0.0 112.802 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.36 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 171.248 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.2 mt -126.67 136.61 60.3 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.486 0 CA-C-O 122.211 1.005 . . . . 0.0 109.334 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.96 143.2 51.01 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-O 123.097 1.427 . . . . 0.0 109.912 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' D' ' 344' ' ' ALA . 84.9 t -108.18 129.91 61.64 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.721 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 173.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.4 119.57 26.48 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.791 -1.193 . . . . 0.0 108.956 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.6 39.25 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.58 -0.7 . . . . 0.0 109.917 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.72 38.97 24.32 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.877 -1.139 . . . . 0.0 112.767 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.7 10.98 83.54 Favored Glycine 0 N--CA 1.501 2.976 0 O-C-N 119.921 -1.737 . . . . 0.0 112.5 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 177.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.77 158.54 33.06 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-O 123.791 1.758 . . . . 0.0 112.453 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.37 31.41 Favored 'General case' 0 C--N 1.278 -2.534 0 CA-C-N 112.515 -2.13 . . . . 0.0 108.575 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 136.05 48.83 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.06 -6.69 47.27 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.751 -1.218 . . . . 0.0 110.755 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.58 13.09 31.3 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.664 -1.273 . . . . 0.0 109.384 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 69.0 m -133.09 104.23 6.42 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 122.206 1.003 . . . . 0.0 110.12 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.28 -37.96 73.19 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.902 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -58.81 -51.47 69.88 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.554 -1.341 . . . . 0.0 113.062 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.43 70.6 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.597 -1.939 . . . . 0.0 109.206 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.75 -33.77 75.83 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.947 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.504 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.76 -10.34 51.83 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.622 -0.674 . . . . 0.0 109.95 -177.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.2 p -89.81 -7.76 53.63 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 118.129 -1.428 . . . . 0.0 110.884 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.37 159.32 15.31 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.182 -0.949 . . . . 0.0 110.153 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.64 104.84 2.96 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.4 mt -119.56 47.39 1.72 Allowed 'General case' 0 C--N 1.309 -1.166 0 O-C-N 120.64 -1.506 . . . . 0.0 107.417 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.898 HG22 HG21 ' C' ' 56' ' ' THR . 5.0 p -81.46 172.51 13.43 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.211 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.67 140.87 57.31 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.847 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.19 78.78 Favored Glycine 0 N--CA 1.501 2.988 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.328 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.47 135.87 34.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.896 -1.355 . . . . 0.0 110.625 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.7 t -96.47 123.71 48.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.23 160.08 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.388 -1.725 . . . . 0.0 110.606 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.2 m -108.92 128.29 54.8 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.487 -1.383 . . . . 0.0 107.597 175.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.74 121.44 60.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 176.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.29 50.72 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.596 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.44 47.16 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 118.526 -1.27 . . . . 0.0 109.786 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.84 6.45 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 118.529 -1.269 . . . . 0.0 108.049 178.204 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.16 -170.4 40.13 Favored Glycine 0 C--N 1.296 -1.676 0 C-N-CA 118.015 -2.041 . . . . 0.0 110.327 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.34 -40.52 82.39 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-N 114.351 -0.924 . . . . 0.0 112.257 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.08 36.76 3.56 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 115.877 -2.329 . . . . 0.0 108.572 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.56 65.73 Favored 'General case' 0 N--CA 1.522 3.139 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.452 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.96 -45.62 26.92 Favored 'General case' 0 N--CA 1.51 2.54 0 O-C-N 119.566 -1.959 . . . . 0.0 110.923 -176.514 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.7 97.73 Favored 'General case' 0 C--N 1.283 -2.297 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.44 77.85 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 117.486 -1.686 . . . . 0.0 110.04 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.0 t -66.9 -42.14 88.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-O 122.241 1.019 . . . . 0.0 109.282 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.86 -47.96 76.39 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.112 0.958 . . . . 0.0 108.751 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.7 -38.37 76.93 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.727 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.44 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.2 mt -75.65 -28.57 58.81 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.345 -1.472 . . . . 0.0 110.9 -174.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.46 70.95 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.26 62.89 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.528 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.3 -45.14 84.47 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.484 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.48 -37.25 85.22 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.866 -1.146 . . . . 0.0 111.53 -177.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.88 61.59 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.056 -1.027 . . . . 0.0 110.242 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.77 -32.28 46.49 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.49 -0.756 . . . . 0.0 111.422 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.765 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.16 125.53 12.53 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.364 2.031 . . . . 0.0 112.846 178.711 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.82 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.9 mm-40 . . . . . 0 C--N 1.278 -2.54 0 CA-C-N 111.121 -2.763 . . . . 0.0 110.156 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.635 ' O2 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.72 -39.07 87.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.528 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.2 mt-10 -61.03 -72.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.462 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.4 mt -38.63 -38.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.452 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -63.68 -49.01 74.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.864 0.364 . . . . 1.9399999999999999 110.229 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 3' ' ' GLU . 79.4 mm-40 -67.0 -37.36 84.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 58' ' ' LEU . 71.9 t -64.29 -42.32 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.349 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 4' ' ' LEU . 54.1 t -60.18 -46.18 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.937 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -59.47 -41.07 88.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.487 -0.56 . . . . 0.17999999999999999 109.487 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.74 -42.57 97.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.69 -43.35 99.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.199 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.93 -44.22 99.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 0.20000000000000001 109.803 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.428 HD13 ' HD2' ' D' ' 324' ' ' LYS . 88.5 mt -64.07 -44.25 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.926 -0.579 . . . . 0.01 109.968 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -61.35 -47.21 86.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.777 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.61 -44.04 93.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.997 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.576 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.44 -42.89 98.91 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.04 -42.44 99.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -49.09 78.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.846 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.43 -46.55 89.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.511 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 65.0 m -54.88 -44.12 73.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.06 -42.53 99.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.703 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.687 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.73 -49.92 75.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -59.47 -42.83 92.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.62 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.15 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.716 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.92 85.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.696 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.31 -44.76 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.429 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -55.89 -41.87 75.13 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.44 -40.88 96.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.827 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.55 95.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.774 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.9 -29.07 69.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.093 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.28 -4.81 54.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.47 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.7 14.04 71.26 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.7 79.85 2.74 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 110.294 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -64.71 -34.94 79.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.703 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.12 80.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.083 0.468 . . . . 0.0 110.735 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.47 80.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.321 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.84 81.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.557 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.24 -42.38 99.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.629 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.43 99.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.793 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -65.34 -40.17 93.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.479 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.402 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 91.2 mmm -64.1 -40.6 96.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.91 -43.82 98.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 110.547 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.44 -41.57 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.202 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -60.58 -45.79 92.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.629 ' NH2' HH12 ' A' ' 88' ' ' ARG . 63.1 ttm-85 -60.03 -42.68 94.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.336 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.5 ttp -60.38 -43.04 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.176 0.513 . . . . 0.0 110.633 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.96 98.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.218 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 48' ' ' LEU . 91.8 mt -65.75 -39.54 91.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.694 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -61.47 -41.88 97.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.288 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.56 -39.93 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.199 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.78 -44.11 78.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.402 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.98 -39.28 89.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.089999999999999997 110.399 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.66 -44.2 96.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.6 t -64.31 -43.41 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.053 0.454 . . . . 0.0 110.082 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -59.7 -43.38 94.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.235 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -55.06 -44.59 74.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.047 0.451 . . . . 0.059999999999999998 110.086 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.95 -41.43 96.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.537 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.503 HD11 HG11 ' A' ' 7' ' ' VAL . 84.6 mt -66.85 -38.7 86.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.659 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.08 -40.43 87.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.52 . . . . 0.050000000000000003 110.847 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -71.59 -30.95 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.444 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.71 -13.76 71.88 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 64' ' ' GLY . 67.7 t0 -106.44 -33.42 7.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.609 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ASP . . . -39.16 94.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -73.21 131.54 15.2 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' A' ' 67' ' ' LYS . 80.3 tt0 -69.82 119.03 13.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.682 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.91 -8.99 1.58 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 65' ' ' GLU . 58.7 mttp -105.48 -164.94 1.07 Allowed 'General case' 0 C--N 1.333 -0.118 0 O-C-N 122.731 -0.276 . . . . 0.0 110.438 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtm -59.83 143.53 50.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.613 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.539 ' NZ ' HD11 ' B' ' 12' ' ' ILE . 53.4 mtmt -60.2 -88.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 71' ' ' SER . 33.7 m -94.29 -142.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.707 -179.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 75' ' ' VAL . 68.2 p -134.62 168.48 18.91 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' N ' HD11 ' B' ' 72' ' ' LEU . 7.8 tt -57.28 -44.43 83.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.63 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.598 ' CG1' HG21 ' A' ' 8' ' ' VAL . 56.1 t -62.77 -46.94 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.9 0.381 . . . . 0.0 110.577 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 74' ' ' LEU . 93.9 mt -62.13 -38.81 90.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.016 0.436 . . . . 0.11 110.891 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 71' ' ' SER . 53.2 t -58.01 -46.17 87.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.762 -0.654 . . . . 0.38 110.163 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -58.25 -43.98 88.13 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.348 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.6 98.09 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.794 0.331 . . . . 0.059999999999999998 110.657 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.568 ' OE1' ' CD2' ' B' ' 76' ' ' HIS . 56.9 tt0 -60.67 -39.58 88.91 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.195 -0.457 . . . . 1.0900000000000001 110.187 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 83' ' ' THR . 41.9 tp -55.23 -45.8 75.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.462 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.644 ' HE2' ' P ' ' D' ' 200' ' ' PO3 . 69.7 m-70 -66.46 -46.03 77.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.239 -0.437 . . . . 0.080000000000000002 110.739 179.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.42 -46.14 91.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.815 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.12 -43.83 98.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.212 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 79' ' ' LEU . 23.4 p -61.48 -44.8 96.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.102 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.41 -49.57 74.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.495 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.0 ttp -57.34 -49.0 77.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.521 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.46 -44.94 95.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.146 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.17 85.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.846 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.629 HH12 ' NH2' ' A' ' 45' ' ' ARG . 71.5 ttp85 -58.38 -45.96 87.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.183 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -61.42 -43.92 98.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.08 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.73 -41.95 97.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.12 0.485 . . . . 0.0 109.843 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.687 HD12 ' HB1' ' A' ' 22' ' ' ALA . 72.0 mt -59.21 -41.01 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.251 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.402 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.2 m -56.89 -45.18 82.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.22 -43.85 96.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.568 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 94' ' ' LEU . 86.7 mt -59.46 -42.98 93.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.71 -42.69 95.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.5 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.27 -39.32 92.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 97' ' ' LEU . 84.3 mt -62.86 -41.32 99.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.834 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.78 -40.56 88.7 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.98 -39.29 89.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.152 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.31 -35.91 82.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.269 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt -81.07 -2.71 49.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.449 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 56.58 23.03 7.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.554 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.527 179.844 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.83 -39.01 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.629 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 4' ' ' LEU . 97.4 mt-10 -61.06 -72.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.409 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.6 mt -38.69 -37.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -63.88 -49.0 74.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 1.9399999999999999 110.337 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' B' ' 3' ' ' GLU . 79.6 mm-40 -66.83 -37.46 84.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.215 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.513 HG11 HD11 ' B' ' 58' ' ' LEU . 73.2 t -64.24 -42.57 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 4' ' ' LEU . 53.5 t -59.99 -45.95 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.878 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.79 -40.65 89.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.565 -0.531 . . . . 0.17999999999999999 109.565 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.22 -42.64 96.22 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.54 -43.29 99.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.788 0.327 . . . . 0.0 110.376 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.539 HD11 ' NZ ' ' A' ' 69' ' ' LYS . 90.9 mt -63.22 -44.35 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.28999999999999998 109.696 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.77 -44.31 98.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 0.02 109.893 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -61.53 -46.72 88.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.858 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.3 t -59.97 -43.99 94.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.082 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.56 -42.51 98.84 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.27 -42.53 99.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.9 79.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.921 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.66 -46.39 90.5 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.4 m -54.86 -43.83 73.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.41 -42.67 98.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.691 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.669 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -59.75 -42.76 93.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.692 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.96 91.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.702 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.67 86.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.589 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.2 -45.13 95.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.328 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -55.86 -41.63 74.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.76 -40.95 96.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.882 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.74 95.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.75 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.75 -29.32 70.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.099 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.28 -4.55 53.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.401 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.64 13.62 72.41 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -97.26 80.01 2.87 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.784 0.326 . . . . 0.0 110.358 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -65.03 -34.88 79.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.645 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.45 79.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.052 0.453 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.14 79.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.415 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.96 80.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.512 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.11 -42.58 99.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.81 0.338 . . . . 0.0 110.587 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.81 99.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.1 -40.71 94.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.493 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.402 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 91.2 mmm -63.41 -40.77 98.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.88 -43.84 98.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.16 -41.75 99.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.306 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -60.56 -45.9 92.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.477 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.617 ' NH2' HH12 ' B' ' 88' ' ' ARG . 63.0 ttm-85 -59.81 -43.01 94.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.282 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 51.8 ttp -60.06 -43.18 95.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.249 0.547 . . . . 0.0 110.669 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.77 98.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.192 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 48' ' ' LEU . 90.9 mt -66.05 -39.79 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.714 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -60.9 -42.16 97.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.341 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.61 -39.97 94.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.116 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.25 78.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.478 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -61.0 -39.33 89.31 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.089999999999999997 110.268 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 53' ' ' LEU . 44.0 mt -60.56 -44.61 95.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.96 -43.64 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.999 0.428 . . . . 0.0 109.945 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -59.58 -43.3 93.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.264 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -55.29 -44.69 75.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.059999999999999998 109.932 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.78 -41.41 95.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.917 0.389 . . . . 0.0 110.513 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.513 HD11 HG11 ' B' ' 7' ' ' VAL . 84.9 mt -66.97 -38.26 85.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.4 -40.34 86.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.085 -0.507 . . . . 0.040000000000000001 110.692 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.82 -30.77 65.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.81 -13.62 71.93 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' B' ' 64' ' ' GLY . 67.7 t0 -106.81 -33.07 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.619 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' B' ' 62' ' ' ASP . . . -39.63 94.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.452 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . -73.17 131.88 15.82 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' B' ' 67' ' ' LYS . 80.7 tt0 -70.08 119.33 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.586 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.8 -8.87 1.57 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' B' ' 65' ' ' GLU . 58.4 mttp -105.63 -164.86 1.06 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.711 0.291 . . . . 0.0 110.428 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.6 mtm -60.02 143.61 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.613 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.557 ' NZ ' HD11 ' C' ' 12' ' ' ILE . 53.1 mtmt -60.27 -88.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -92.82 -143.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.577 ' O ' HG23 ' B' ' 75' ' ' VAL . 86.5 p -134.57 169.78 16.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.481 -178.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.401 HD11 ' N ' ' A' ' 72' ' ' LEU . 7.6 tt -59.74 -43.94 94.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.574 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.585 ' CG1' HG21 ' B' ' 8' ' ' VAL . 53.0 t -62.13 -46.82 95.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.575 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.99 -38.36 88.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.11 110.957 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 71' ' ' SER . 53.8 t -58.19 -46.22 88.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.825 -0.625 . . . . 0.38 110.293 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.568 ' CD2' ' OE1' ' A' ' 78' ' ' GLN . 59.4 t-80 -58.55 -43.67 89.38 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.809 -0.356 . . . . 1.1100000000000001 110.251 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.21 97.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.847 0.356 . . . . 0.059999999999999998 110.404 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.59 ' OE1' ' CD2' ' C' ' 76' ' ' HIS . 57.2 tt0 -61.11 -39.36 89.71 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.0900000000000001 110.229 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 83' ' ' THR . 40.5 tp -55.68 -45.51 77.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.401 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' B' ' 83' ' ' THR . 69.5 m-70 -66.62 -45.66 78.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.366 -0.379 . . . . 0.080000000000000002 110.739 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.69 -46.53 89.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -60.46 -44.1 96.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.245 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.6 p -61.41 -44.68 96.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.49 -49.27 76.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.599 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 64.9 ttp -57.62 -48.77 78.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.429 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.67 -44.65 96.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.058 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.16 -46.49 88.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.879 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.617 HH12 ' NH2' ' B' ' 45' ' ' ARG . 71.8 ttp85 -58.67 -46.25 87.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.279 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -61.21 -43.89 98.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.184 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.82 -41.82 97.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.147 0.499 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.669 HD12 ' HB1' ' B' ' 22' ' ' ALA . 70.2 mt -59.27 -40.92 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.237 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.402 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 17.7 m -56.91 -45.25 82.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.07 0.462 . . . . 0.0 109.889 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.33 -43.78 96.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.471 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.28 -43.37 92.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.41 -42.95 95.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.499 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -61.8 -40.01 93.74 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.3 -41.52 98.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.869 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -59.64 -40.44 87.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.25 -39.22 89.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.123 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.49 -35.54 81.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.189 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.7 mt -81.3 -3.19 51.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.363 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 56.88 23.18 7.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.491 179.802 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.8 -39.19 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' C' ' 4' ' ' LEU . 97.6 mt-10 -60.81 -72.11 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.422 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.652 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.4 mt -38.91 -37.82 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.414 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -63.81 -49.25 73.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.825 0.345 . . . . 1.9399999999999999 110.36 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' C' ' 3' ' ' GLU . 79.5 mm-40 -66.6 -37.5 85.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.34 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.484 HG11 HD11 ' C' ' 58' ' ' LEU . 72.3 t -64.13 -42.37 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.406 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.652 HG23 ' O ' ' C' ' 4' ' ' LEU . 54.6 t -60.23 -45.98 95.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.982 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.72 -40.92 89.59 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.59 -0.522 . . . . 0.17999999999999999 109.59 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.71 96.81 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.31 -43.46 98.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 0.0 110.361 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.557 HD11 ' NZ ' ' B' ' 69' ' ' LYS . 91.9 mt -63.08 -44.3 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.29999999999999999 109.687 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.79 -44.19 98.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.02 110.013 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -61.51 -46.79 88.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.793 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.9 t -59.91 -44.12 94.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.183 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.55 -42.41 98.89 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -63.26 -42.78 99.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.97 78.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.778 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.69 -46.61 89.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.1 m -54.54 -44.11 72.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.23 -42.73 99.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.705 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.672 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.51 -49.66 76.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.99 -42.86 95.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.551 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.17 91.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.722 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.01 86.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.632 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.91 -45.02 96.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.369 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -55.85 -41.72 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.84 -40.26 94.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.897 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.76 98.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.82 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.65 -29.09 69.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.046 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.23 -4.8 54.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.414 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.79 13.98 71.15 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -97.87 79.94 2.7 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.29 . . . . 0.0 110.286 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -64.99 -34.81 79.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.579 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.38 79.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.022 0.439 . . . . 0.0 110.665 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.73 -35.07 79.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.395 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.11 79.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.491 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.72 -43.02 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.615 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.74 99.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.711 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.8 mmm -64.97 -40.8 95.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.33 -40.97 98.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.74 -44.03 97.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.452 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.98 -41.68 99.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.306 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -60.78 -45.75 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.565 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.615 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.9 ttm-85 -60.02 -42.67 94.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.33 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 52.6 ttp -60.37 -43.08 96.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.349 0.595 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.15 98.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.349 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.69 -39.79 91.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.691 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -61.16 -42.11 97.96 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.402 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -64.25 -40.17 95.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.001 0.429 . . . . 0.0 110.038 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.23 79.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.421 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.91 -39.46 89.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.056 -0.52 . . . . 0.089999999999999997 110.328 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.91 -44.13 97.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.317 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.07 -43.49 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.981 0.419 . . . . 0.0 110.017 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -59.75 -43.37 94.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.856 HG21 ' CG2' ' D' ' 356' ' ' THR . 19.0 m -55.07 -44.73 75.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.408 . . . . 0.059999999999999998 110.167 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.86 -41.2 95.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.886 0.374 . . . . 0.0 110.462 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.484 HD11 HG11 ' C' ' 7' ' ' VAL . 84.7 mt -67.02 -38.57 86.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.25 -40.18 86.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.975 -0.557 . . . . 0.059999999999999998 110.829 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.2 mm-40 -71.92 -30.66 65.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.76 -13.84 71.55 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' C' ' 64' ' ' GLY . 68.0 t0 -106.81 -33.28 7.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.779 0.323 . . . . 0.0 110.443 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' C' ' 62' ' ' ASP . . . -39.45 94.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.495 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 64' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' C' ' 62' ' ' ASP . . . -73.21 132.02 16.0 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 65' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' C' ' 67' ' ' LYS . 80.6 tt0 -70.19 119.8 14.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.619 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.02 -8.32 1.32 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' C' ' 65' ' ' GLU . 58.6 mttp -105.91 -165.1 1.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.638 0.256 . . . . 0.0 110.603 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.03 143.91 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.647 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -60.56 -88.08 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 34.3 m -93.17 -144.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.583 ' O ' HG23 ' C' ' 75' ' ' VAL . 86.0 p -133.39 172.1 13.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.544 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.22 -44.42 95.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.697 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.553 ' CG1' HG21 ' C' ' 8' ' ' VAL . 51.3 t -63.03 -46.65 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 130.1 3.36 . . . . 0.0 110.593 -177.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.59 -37.72 88.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.057 0.456 . . . . 0.11 110.979 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.583 HG23 ' O ' ' C' ' 71' ' ' SER . 53.3 t -58.89 -46.63 91.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.793 -0.639 . . . . 0.40000000000000002 110.169 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.59 ' CD2' ' OE1' ' B' ' 78' ' ' GLN . 59.7 t-80 -58.57 -44.03 89.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.895 -0.322 . . . . 1.02 110.316 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.04 98.38 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.932 0.396 . . . . 0.059999999999999998 110.514 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.13 -39.81 91.43 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.159 -0.473 . . . . 1.0900000000000001 110.236 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.507 ' O ' HG23 ' C' ' 83' ' ' THR . 39.7 tp -55.18 -45.94 75.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.485 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.419 ' O ' ' OG1' ' C' ' 83' ' ' THR . 70.0 m-70 -66.36 -45.81 78.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.364 -0.38 . . . . 0.080000000000000002 110.742 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.41 -46.54 89.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.816 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -60.83 -43.29 98.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.368 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.507 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.6 p -62.13 -44.69 96.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.203 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -62.3 -49.5 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.24 -49.21 76.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.767 0.318 . . . . 0.0 110.514 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.46 -44.35 95.94 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.156 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.44 88.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.945 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.615 HH12 ' NH2' ' C' ' 45' ' ' ARG . 71.7 ttp85 -58.89 -46.12 88.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.189 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.04 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.164 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.57 -41.88 98.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.113 0.482 . . . . 0.0 110.026 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.672 HD12 ' HB1' ' C' ' 22' ' ' ALA . 72.3 mt -59.0 -41.16 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.386 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 17.0 m -56.7 -45.39 81.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.096 0.474 . . . . 0.0 109.955 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.26 -43.7 97.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.533 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.21 -43.03 92.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.79 -42.78 95.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.531 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -61.79 -40.0 93.69 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.33 -41.69 98.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.856 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -59.39 -40.73 87.49 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.05 -39.42 89.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.12 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.17 -35.57 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.256 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt -81.41 -3.28 52.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.32 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 57.13 22.96 8.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.539 179.725 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.542 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.865 0.841 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.79 143.02 36.68 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 178.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.26 38.51 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.956 -1.09 . . . . 0.0 109.545 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.3 mm-40 -152.1 149.24 28.59 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.37 18.93 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.038 -1.039 . . . . 0.0 108.416 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.86 144.27 19.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.66 136.56 37.02 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 122.153 0.978 . . . . 0.0 110.155 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.95 114.29 24.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.91 -4.28 19.33 Favored 'General case' 0 C--N 1.265 -3.1 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.81 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.87 85.89 Favored Pre-proline 0 N--CA 1.499 2.0 0 O-C-N 119.633 -1.917 . . . . 0.0 110.614 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -45.53 -47.73 12.89 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 124.776 3.651 . . . . 0.0 114.085 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -102.1 27.57 6.52 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 116.075 -2.25 . . . . 0.0 108.837 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.85 -126.35 26.62 Favored Glycine 0 N--CA 1.496 2.691 0 C-N-CA 117.653 -2.213 . . . . 0.0 109.597 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.54 77.28 1.78 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.923 -1.339 . . . . 0.0 109.511 -176.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -85.24 176.97 8.02 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 117.852 -1.539 . . . . 0.0 112.109 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.513 ' CG2' ' O2 ' ' D' ' 200' ' ' PO3 . 13.5 p -21.76 -72.05 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.576 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.7 ttt-85 -44.4 -66.3 0.49 Allowed Pre-proline 0 N--CA 1.493 1.714 0 C-N-CA 120.136 -0.626 . . . . 0.0 112.542 -177.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.21 -32.19 62.96 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.55 1.5 . . . . 0.0 111.522 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.511 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.81 86.73 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.201 -0.937 . . . . 0.0 109.543 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.88 -39.75 72.67 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.91 -39.45 94.19 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 118.072 -1.451 . . . . 0.0 109.488 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.66 -45.38 93.09 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 122.607 1.194 . . . . 0.0 108.687 -177.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.606 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.6 t -62.61 -42.22 95.14 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.693 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.428 ' HD2' HD13 ' A' ' 13' ' ' ILE . 35.4 mttm -63.97 -40.19 95.83 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.27 -0.894 . . . . 0.0 109.742 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.529 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.84 -39.62 79.83 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.401 -0.812 . . . . 0.0 109.541 178.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.02 91.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.611 -1.305 . . . . 0.0 109.44 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 327' ' ' LYS . . . . . 0.606 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.8 mttp -61.33 -16.22 43.77 Favored 'General case' 0 N--CA 1.512 2.637 0 O-C-N 121.321 -0.862 . . . . 0.0 113.278 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.54 86.14 Favored Glycine 0 N--CA 1.479 1.551 0 O-C-N 119.889 -1.757 . . . . 0.0 109.263 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.46 143.34 32.84 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.313 -1.698 . . . . 0.0 110.015 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.59 -30.12 59.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.234 -0.916 . . . . 0.0 112.365 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.67 158.49 10.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.791 -1.818 . . . . 0.0 112.821 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.2 35.35 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 102.888 -3.004 . . . . 0.0 102.888 171.2 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.7 136.64 60.21 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.424 0 CA-C-O 122.25 1.024 . . . . 0.0 109.258 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.98 143.18 51.03 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-O 123.121 1.438 . . . . 0.0 109.987 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.9 t -108.12 130.0 61.39 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 173.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.56 119.58 26.3 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.891 -1.131 . . . . 0.0 108.901 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.58 39.2 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.878 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.8 38.9 24.41 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.914 -1.116 . . . . 0.0 112.784 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 11.09 83.46 Favored Glycine 0 N--CA 1.503 3.11 0 O-C-N 119.968 -1.708 . . . . 0.0 112.526 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.92 136.23 54.59 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.77 158.51 33.15 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 123.786 1.755 . . . . 0.0 112.395 -175.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.36 31.33 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 112.457 -2.156 . . . . 0.0 108.592 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.53 136.01 49.01 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 173.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.436 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.05 -6.77 47.8 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.718 -1.239 . . . . 0.0 110.699 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.5 12.92 31.71 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.669 -1.269 . . . . 0.0 109.353 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 67.1 m -133.05 104.12 6.37 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.151 0.977 . . . . 0.0 110.179 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.29 -37.77 72.95 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.941 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -59.0 -51.34 70.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.583 -1.323 . . . . 0.0 113.03 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.38 70.4 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 119.54 -1.975 . . . . 0.0 109.196 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.82 -33.73 75.84 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.959 -1.096 . . . . 0.0 109.948 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.509 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.65 -10.52 52.99 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.649 -0.657 . . . . 0.0 109.923 -177.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.6 p -89.72 -7.71 53.93 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 118.074 -1.451 . . . . 0.0 110.947 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.42 159.34 15.29 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.268 -0.895 . . . . 0.0 110.159 -178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.9 2.97 Favored Glycine 0 N--CA 1.484 1.861 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 355' ' ' LEU . . . . . 0.448 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.1 mt -119.57 47.3 1.74 Allowed 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.709 -1.465 . . . . 0.0 107.413 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.856 ' CG2' HG21 ' C' ' 56' ' ' THR . 80.8 p -81.44 172.55 13.39 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 118.776 -1.169 . . . . 0.0 109.223 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.73 140.92 57.37 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.825 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.49 -3.2 78.77 Favored Glycine 0 N--CA 1.5 2.932 0 C-N-CA 120.031 -1.081 . . . . 0.0 111.368 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.44 135.91 34.07 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.849 -1.383 . . . . 0.0 110.625 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.58 123.69 48.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.11 160.05 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 C-N-CA 117.423 -1.711 . . . . 0.0 110.631 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.87 128.41 54.89 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 120.544 -1.348 . . . . 0.0 107.603 175.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.6 mt -107.87 121.41 60.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 176.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 364' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.61 147.23 50.71 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.722 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.542 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.81 6.43 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 118.6 -1.24 . . . . 0.0 108.029 178.151 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.3 40.13 Favored Glycine 0 C--N 1.295 -1.714 0 C-N-CA 118.007 -2.044 . . . . 0.0 110.385 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.35 -40.63 82.71 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.43 -0.885 . . . . 0.0 112.199 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.06 36.76 3.56 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 115.878 -2.329 . . . . 0.0 108.574 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.55 65.77 Favored 'General case' 0 N--CA 1.522 3.162 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -174.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.447 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.61 27.53 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 119.577 -1.952 . . . . 0.0 110.972 -176.55 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.75 97.77 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -58.99 -49.6 77.27 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.47 -1.692 . . . . 0.0 110.09 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.79 -42.22 88.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-O 122.201 1.0 . . . . 0.0 109.297 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.88 -47.88 76.57 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 122.086 0.946 . . . . 0.0 108.71 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.85 -38.35 76.46 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.684 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.437 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.58 -28.6 59.01 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.414 -1.429 . . . . 0.0 110.866 -174.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -39.57 71.54 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.457 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.86 -49.2 63.42 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.529 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.29 -45.23 84.31 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.976 -1.089 . . . . 0.0 110.538 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.28 85.12 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.862 -1.149 . . . . 0.0 111.535 -177.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.85 61.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.116 -0.99 . . . . 0.0 110.281 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.83 -32.29 46.12 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.583 -0.698 . . . . 0.0 111.364 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.46 12.29 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 124.276 1.989 . . . . 0.0 112.946 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.81 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.4 mt-10 . . . . . 0 C--N 1.276 -2.591 0 CA-C-N 111.172 -2.74 . . . . 0.0 110.121 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.644 ' P ' ' HE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -60.01 -36.95 78.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.3 mt-10 -60.98 -77.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.6 mt -38.56 -36.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.407 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -62.9 -50.13 72.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.917 0.389 . . . . 1.9399999999999999 110.365 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.3 mt-10 -68.37 -36.39 79.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.243 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.501 HG11 HD11 ' A' ' 58' ' ' LEU . 85.8 t -64.72 -43.31 96.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 4' ' ' LEU . 72.0 t -60.79 -44.56 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.895 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.9 mtp -58.75 -41.24 86.06 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.516 -0.549 . . . . 0.17999999999999999 109.516 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.63 96.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.264 -1.135 . . . . 0.0 110.264 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.432 HD13 ' OE1' ' A' ' 55' ' ' GLN . 84.0 mt -62.97 -43.14 99.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.207 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.12 -44.44 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.004 -0.544 . . . . 0.20000000000000001 109.773 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.488 HD13 ' NZ ' ' D' ' 324' ' ' LYS . 90.0 mt -63.52 -43.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.01 109.983 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -61.13 -46.8 89.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.784 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -59.9 -44.46 94.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.924 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -62.14 -42.55 99.73 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -63.28 -42.25 99.07 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.496 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.65 -49.87 75.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.47 -46.3 90.58 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -54.33 -44.18 71.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.84 -42.43 99.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.636 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -59.15 -50.91 72.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.35 -42.95 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.596 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.72 95.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.717 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.39 85.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.633 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.86 -45.39 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.499 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.98 -42.73 76.79 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -60.95 -41.71 96.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.94 95.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.74 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.79 -29.89 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.171 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -82.75 -4.35 57.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.486 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.56 17.47 70.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -98.45 79.62 2.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.783 0.325 . . . . 0.0 110.303 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -64.58 -34.11 77.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.727 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.49 78.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.027 0.441 . . . . 0.0 110.664 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.07 83.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.64 -47.84 81.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.613 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.88 -43.32 99.08 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.666 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.77 98.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.1 mmm -65.98 -40.45 91.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.554 ' HE3' HG23 ' A' ' 92' ' ' THR . 94.0 mtp -62.79 -41.19 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.594 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.29 -43.32 99.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.94 -40.24 97.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.222 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t -61.59 -46.82 88.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.559 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 76.7 ttt180 -59.13 -43.12 91.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.37 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.532 ' SD ' ' C ' ' A' ' 46' ' ' MET . 18.7 tmm? -60.12 -43.96 95.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.174 0.511 . . . . 0.0 110.576 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.54 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.187 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.496 HD21 ' CB ' ' A' ' 18' ' ' ALA . 89.4 mt -65.37 -40.3 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.676 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 52.4 t-20 -60.87 -42.21 97.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.237 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.07 -39.81 93.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.191 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -46.05 74.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.486 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.55 -39.68 88.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.044 -0.525 . . . . 0.089999999999999997 110.412 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.16 -43.76 95.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.326 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.64 -43.51 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.035 0.445 . . . . 0.0 110.083 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.432 ' OE1' HD13 ' A' ' 11' ' ' LEU . 67.1 tp60 -59.52 -44.16 93.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.313 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -57.13 -42.38 80.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.059999999999999998 110.033 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.446 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.501 HD11 HG11 ' A' ' 7' ' ' VAL . 95.9 mt -63.64 -30.79 71.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.66 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -85.71 -32.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.050000000000000003 110.848 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 61' ' ' GLY . 80.6 mm-40 -82.36 -9.67 59.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.456 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 60' ' ' GLU . . . -37.28 -80.39 0.03 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -144.72 95.43 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.5 144.89 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.78 147.82 23.13 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -56.46 102.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.36 1.7 65.57 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -118.57 129.22 55.21 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.777 0.322 . . . . 0.0 110.418 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.7 mmm -74.9 140.53 43.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.596 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -72.29 63.09 0.52 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.95 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.2 t -102.7 123.77 56.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.724 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 75' ' ' VAL . 83.3 p -135.91 169.12 18.09 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.11 -42.11 85.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.604 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.596 HG13 HG21 ' A' ' 8' ' ' VAL . 59.3 t -65.9 -46.04 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.956 0.408 . . . . 0.0 110.578 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.46 -42.51 95.91 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.187 -0.46 . . . . 0.11 110.924 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 71' ' ' SER . 54.9 t -59.54 -46.51 92.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.76 -0.654 . . . . 0.38 110.207 -179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -58.33 -45.1 88.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.285 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.48 87.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.512 -0.313 . . . . 0.059999999999999998 110.605 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -62.16 -40.96 97.75 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.207 -0.451 . . . . 1.0900000000000001 110.213 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 83' ' ' THR . 37.5 tp -55.02 -47.06 75.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.421 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.588 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 38.4 m80 -68.6 -45.53 71.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.285 -0.416 . . . . 0.080000000000000002 110.717 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.95 -49.31 76.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.811 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.23 -44.28 96.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.209 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.7 p -61.95 -45.32 94.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.124 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -62.78 -47.49 83.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.458 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.4 tpp -59.05 -48.15 82.63 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.551 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.63 -45.04 95.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.127 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.18 -47.17 81.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.847 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 78.8 ttt-85 -59.36 -44.71 92.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.191 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.62 -46.58 89.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.129 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.09 -42.12 94.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.247 0.546 . . . . 0.0 109.892 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.426 HD13 ' HB1' ' A' ' 22' ' ' ALA . 65.7 mt -60.16 -41.97 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.27 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.554 HG23 ' HE3' ' A' ' 41' ' ' MET . 66.1 m -57.29 -45.91 83.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.469 . . . . 0.0 109.881 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.01 -42.77 99.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.56 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 13.7 mt -60.06 -44.05 94.98 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.4 -43.25 96.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.562 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.494 ' HG2' ' HZ3' ' A' ' 100' ' ' LYS . 83.3 tt0 -59.08 -39.54 82.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.705 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.836 HD21 ' NE2' ' B' ' 98' ' ' HIS . 36.5 mt -61.68 -41.75 97.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.916 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.714 ' NE2' HD21 ' C' ' 97' ' ' LEU . 74.3 m80 -59.01 -39.96 83.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' ALA . 83.5 tt0 -61.61 -41.69 97.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.179 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.494 ' HZ3' ' HG2' ' A' ' 96' ' ' GLU . 60.7 mttp -63.19 -37.63 88.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.79 -40.86 95.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -91.47 -7.11 51.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.486 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.521 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -60.17 -37.02 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.5 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.1 mt-10 -60.68 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.451 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.742 ' O ' HG23 ' B' ' 8' ' ' VAL . 94.4 mt -38.61 -36.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.511 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.83 -50.11 72.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 1.9399999999999999 110.386 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' B' ' 3' ' ' GLU . 96.9 mt-10 -68.25 -36.34 79.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.218 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.5 HG11 HD11 ' B' ' 58' ' ' LEU . 92.3 t -65.13 -43.27 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 4' ' ' LEU . 69.1 t -60.73 -44.4 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.933 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.1 mtp -59.04 -40.82 86.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.611 -0.514 . . . . 0.17999999999999999 109.611 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.44 -42.2 96.0 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.101 -1.199 . . . . 0.0 110.101 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.425 HD13 ' OE1' ' B' ' 55' ' ' GLN . 85.1 mt -63.24 -43.25 98.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.827 0.346 . . . . 0.0 110.325 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.08 -44.5 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.28999999999999998 109.71 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.33 -43.94 98.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 0.02 109.936 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -60.7 -46.59 89.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.868 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.5 t -59.93 -44.58 94.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.131 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.57 99.77 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -63.85 -42.34 97.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.67 -49.96 75.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.914 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.2 -46.33 90.09 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.2 m -54.56 -43.8 72.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.94 -42.43 99.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.727 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.422 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -59.38 -50.74 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.47 -42.9 93.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.704 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.77 95.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.744 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.18 85.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.656 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.97 -45.7 93.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.303 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.97 -42.46 76.29 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -61.23 -41.43 96.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.9 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.68 96.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.666 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.76 -30.14 69.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.057 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.65 -4.61 58.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.83 17.4 70.34 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.43 79.77 2.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.307 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.98 -33.84 77.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.573 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.32 -48.47 77.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.034 0.445 . . . . 0.0 110.781 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.67 81.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.368 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.12 80.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.566 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.73 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.62 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.09 98.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.686 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 84.5 mmm -65.74 -40.45 92.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.534 ' HE3' HG23 ' B' ' 92' ' ' THR . 94.0 mtp -62.69 -41.29 99.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.441 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.03 -40.36 97.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.257 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 42.0 t -61.37 -46.66 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.487 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.49 -42.99 93.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.269 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' B' ' 46' ' ' MET . 18.6 tmm? -60.09 -43.68 95.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.285 0.564 . . . . 0.0 110.613 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.79 97.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.12 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' B' ' 18' ' ' ALA . 89.1 mt -65.2 -40.39 94.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.772 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -60.61 -42.21 96.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.341 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.23 -39.73 93.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.173 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.53 -45.76 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.489 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.83 -39.68 89.96 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.089999999999999997 110.297 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 53' ' ' LEU . 41.1 mt -60.25 -43.89 95.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.375 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.55 -43.6 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.986 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.425 ' OE1' HD13 ' B' ' 11' ' ' LEU . 67.4 tp60 -59.46 -43.97 93.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.216 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -57.6 -41.99 82.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.059999999999999998 109.923 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.73 -39.49 94.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 110.593 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.5 HD11 HG11 ' B' ' 7' ' ' VAL . 95.8 mt -63.98 -30.76 71.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.691 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.9 mt -85.46 -32.38 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.09 -0.505 . . . . 0.040000000000000001 110.789 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -82.09 -9.44 59.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -37.37 -80.81 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -144.28 95.18 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.741 0.305 . . . . 0.0 110.564 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.3 145.06 49.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.91 148.01 23.12 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.55 102.2 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.598 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.61 1.42 66.05 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -118.18 129.52 55.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.655 0.264 . . . . 0.0 110.503 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 97.7 mmm -75.19 141.62 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.597 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -73.16 63.59 0.71 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -104.23 123.29 57.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.833 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.427 ' O ' HG23 ' B' ' 75' ' ' VAL . 89.5 p -135.49 170.63 15.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.538 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 39.6 mt -60.02 -42.22 93.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.583 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.571 HG13 HG21 ' B' ' 8' ' ' VAL . 54.6 t -64.72 -45.53 94.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.609 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.61 -42.3 95.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.09 0.471 . . . . 0.11 110.93 -178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 71' ' ' SER . 53.3 t -59.57 -46.61 92.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.785 -0.643 . . . . 0.38 110.286 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -58.25 -45.7 87.33 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.82 -0.352 . . . . 1.1100000000000001 110.32 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.96 91.8 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.903 0.383 . . . . 0.059999999999999998 110.395 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -62.71 -40.83 98.39 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.079 -0.51 . . . . 1.0900000000000001 110.217 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.564 ' O ' HG23 ' B' ' 83' ' ' THR . 37.6 tp -55.35 -47.01 76.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -68.49 -45.66 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.302 -0.408 . . . . 0.080000000000000002 110.747 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.93 -49.54 75.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.03 -44.25 97.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.238 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.6 p -62.09 -45.11 94.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.177 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -62.79 -47.31 84.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.581 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.2 tpp -59.35 -48.24 82.38 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.455 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.35 -45.28 95.05 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.101 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.19 80.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.911 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -59.65 -44.57 93.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.248 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -60.71 -46.59 89.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.154 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.01 -41.68 95.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.156 0.503 . . . . 0.0 110.064 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.422 HD13 ' HB1' ' B' ' 22' ' ' ALA . 67.0 mt -60.73 -41.99 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.141 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.534 HG23 ' HE3' ' B' ' 41' ' ' MET . 72.0 m -57.03 -46.0 82.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.075 0.464 . . . . 0.0 109.921 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.479 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.561 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.0 mt -60.29 -43.76 95.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.89 -43.13 97.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.572 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.458 ' HG2' ' HZ3' ' B' ' 100' ' ' LYS . 84.3 tt0 -59.21 -39.49 82.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.748 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.86 HD21 ' NE2' ' C' ' 98' ' ' HIS . 34.7 mt -61.64 -41.81 98.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.845 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.836 ' NE2' HD21 ' A' ' 97' ' ' LEU . 74.3 m80 -58.8 -40.36 83.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.759 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' B' ' 103' ' ' ALA . 83.2 tt0 -61.43 -41.16 96.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.122 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' LYS . . . . . 0.458 ' HZ3' ' HG2' ' B' ' 96' ' ' GLU . 60.7 mttp -63.87 -37.57 87.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.176 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.58 -41.24 96.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -91.05 -7.51 51.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.67 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.25 -36.64 78.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.5 mt-10 -60.89 -77.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.752 ' O ' HG23 ' C' ' 8' ' ' VAL . 94.8 mt -38.7 -37.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.369 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.55 -50.51 71.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.796 0.331 . . . . 1.9399999999999999 110.387 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' C' ' 3' ' ' GLU . 96.6 mt-10 -68.01 -36.84 80.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.489 HG11 HD11 ' C' ' 58' ' ' LEU . 94.5 t -64.42 -43.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.349 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.752 HG23 ' O ' ' C' ' 4' ' ' LEU . 71.2 t -60.91 -44.46 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.968 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 87.5 mtp -58.84 -40.81 85.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.545 -0.539 . . . . 0.17999999999999999 109.545 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.17 -42.67 96.3 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.417 HD13 ' OE1' ' C' ' 55' ' ' GLN . 85.6 mt -62.95 -42.81 99.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.939 0.399 . . . . 0.0 110.425 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.37 -44.57 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.968 -0.56 . . . . 0.29999999999999999 109.717 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.18 -43.73 98.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.02 110.075 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -61.13 -46.67 89.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.812 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 35.1 t -59.86 -44.55 94.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.189 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.96 99.72 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -63.74 -42.42 97.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.494 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.51 -50.27 74.38 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.92 -46.77 88.3 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -54.22 -44.03 71.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.67 -42.35 99.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.721 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.437 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -59.44 -51.12 71.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.24 -42.9 92.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.493 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.7 95.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.712 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.68 -44.02 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.502 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.37 -45.36 94.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.434 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.95 -43.12 77.17 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -60.79 -41.33 95.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.894 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.59 96.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.843 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.95 -29.93 69.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.11 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.56 -4.58 57.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.447 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.04 17.01 70.75 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.22 79.73 2.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.713 0.292 . . . . 0.0 110.253 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -65.03 -33.94 77.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.629 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.31 -48.26 78.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.015 0.436 . . . . 0.0 110.651 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.75 81.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.436 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.51 82.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.49 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.22 -43.51 98.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.597 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.44 98.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 84.2 mmm -65.37 -40.85 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.564 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.517 ' HE1' HG23 ' C' ' 92' ' ' THR . 94.0 mtp -62.47 -41.23 98.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.668 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -61.38 -43.07 99.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.445 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.18 -40.11 96.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 43.5 t -61.82 -46.2 90.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.518 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.416 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 75.9 ttt180 -59.81 -42.7 94.04 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.311 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 46' ' ' MET . . . . . 0.541 ' C ' ' SD ' ' C' ' 46' ' ' MET . 18.6 tmm? -60.62 -43.39 97.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 110.554 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.96 98.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.344 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.494 HD21 ' CB ' ' C' ' 18' ' ' ALA . 89.2 mt -65.23 -40.42 94.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 49' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 52.0 t-20 -60.78 -42.45 97.53 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.317 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.87 -40.12 94.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.017 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.23 75.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.401 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.44 -39.66 88.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.089999999999999997 110.307 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.53 -43.43 97.15 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.35 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.77 -43.67 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.013 0.435 . . . . 0.0 109.946 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.417 ' OE1' HD13 ' C' ' 11' ' ' LEU . 67.2 tp60 -59.43 -44.21 92.95 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.205 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.754 HG21 HG22 ' D' ' 356' ' ' THR . 18.8 m -57.21 -42.21 80.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.059999999999999998 110.203 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.73 -39.11 93.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.505 HD22 ' CD2' ' C' ' 4' ' ' LEU . 95.7 mt -63.99 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.772 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -85.45 -32.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.935 -0.575 . . . . 0.059999999999999998 110.864 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -82.43 -9.28 59.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.478 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 61' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' C' ' 60' ' ' GLU . . . -37.46 -80.57 0.03 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -144.49 94.82 2.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.869 0.366 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.528 ' HB3' HG22 ' D' ' 352' ' ' THR . . . -70.68 145.2 50.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.12 148.15 23.02 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -56.75 102.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 66' ' ' GLY . . . . . 0.59 ' O ' ' CE1' ' D' ' 348' ' ' PHE . . . 75.02 1.96 64.42 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -118.44 129.49 55.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.682 0.277 . . . . 0.0 110.546 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 97.7 mmm -75.33 141.93 43.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.607 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -73.69 63.45 0.85 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 58.3 t -103.7 123.23 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.736 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.455 ' O ' HG23 ' C' ' 75' ' ' VAL . 90.4 p -134.5 172.74 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.488 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.86 -41.64 98.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.668 -177.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.558 HG13 HG21 ' C' ' 8' ' ' VAL . 57.0 t -65.42 -46.4 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 130.131 3.372 . . . . 0.0 110.596 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.46 -42.26 87.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.071 0.462 . . . . 0.11 110.975 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.455 HG23 ' O ' ' C' ' 71' ' ' SER . 54.5 t -59.72 -46.88 92.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.792 -0.64 . . . . 0.40000000000000002 110.19 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -58.38 -45.61 87.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.727 0.299 . . . . 1.02 110.338 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.05 90.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.924 0.392 . . . . 0.059999999999999998 110.424 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -62.57 -40.97 98.55 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.196 -0.456 . . . . 1.0900000000000001 110.235 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.569 ' O ' HG23 ' C' ' 83' ' ' THR . 37.5 tp -55.13 -47.12 75.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.452 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -68.64 -45.61 71.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.347 -0.388 . . . . 0.080000000000000002 110.759 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.8 -49.39 76.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.819 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 82' ' ' MET . . . . . 0.551 ' SD ' HD21 ' A' ' 79' ' ' LEU . 93.6 mtp -62.29 -44.16 97.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.386 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.569 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.9 p -62.05 -45.17 94.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.198 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.76 -47.54 83.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 9.1 tpp -58.88 -48.3 81.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.534 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.41 -45.39 94.53 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.134 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.63 -47.4 79.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.987 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.416 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 78.7 ttt-85 -59.42 -44.79 92.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.21 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.22 -46.66 88.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.234 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.29 -41.87 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.119 0.485 . . . . 0.0 110.008 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.437 HD13 ' HB1' ' C' ' 22' ' ' ALA . 66.0 mt -60.38 -41.77 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.325 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.517 HG23 ' HE1' ' C' ' 41' ' ' MET . 71.0 m -57.35 -45.93 83.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.146 0.498 . . . . 0.0 109.975 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.93 -42.58 99.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.491 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.559 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.3 mt -60.36 -43.82 96.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.48 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.86 -43.06 96.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.504 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 96' ' ' GLU . . . . . 0.42 ' HG2' ' HZ3' ' C' ' 100' ' ' LYS . 84.2 tt0 -59.0 -39.66 82.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.098 0.475 . . . . 0.0 109.725 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.714 HD21 ' NE2' ' A' ' 98' ' ' HIS . 36.0 mt -61.49 -41.59 97.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.938 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.86 ' NE2' HD21 ' B' ' 97' ' ' LEU . 74.4 m80 -59.36 -39.86 84.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' C' ' 103' ' ' ALA . 83.3 tt0 -61.8 -41.21 97.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.048 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 100' ' ' LYS . . . . . 0.42 ' HZ3' ' HG2' ' C' ' 96' ' ' GLU . 60.8 mttp -63.59 -37.88 89.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.196 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.53 -41.1 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.293 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -91.17 -7.67 50.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 103' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 121.881 0.848 . . . . 0.0 108.977 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.81 143.01 36.65 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.33 38.61 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.973 -1.08 . . . . 0.0 109.573 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.17 149.14 28.43 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.3 19.0 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.095 -1.003 . . . . 0.0 108.348 178.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.85 144.38 19.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.68 136.57 37.03 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.14 0.971 . . . . 0.0 110.069 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.32 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 177.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.9 -4.27 19.35 Favored 'General case' 0 C--N 1.265 -3.099 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.808 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.56 141.88 85.75 Favored Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 119.67 -1.894 . . . . 0.0 110.632 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.5 -47.63 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 124.754 3.636 . . . . 0.0 114.158 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -102.17 27.52 6.6 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 116.07 -2.252 . . . . 0.0 108.768 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 65.94 -127.27 30.29 Favored Glycine 0 N--CA 1.497 2.721 0 C-N-CA 117.725 -2.178 . . . . 0.0 109.543 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 7.0 tp -127.07 79.1 1.86 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.983 -1.304 . . . . 0.0 109.463 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.96 173.98 8.99 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 117.815 -1.554 . . . . 0.0 112.182 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.505 ' OG1' ' O1 ' ' D' ' 200' ' ' PO3 . 6.8 p -22.57 -68.6 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -176.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.52 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.0 ttt-85 -45.75 -66.34 0.52 Allowed Pre-proline 0 N--CA 1.493 1.7 0 C-N-CA 120.125 -0.63 . . . . 0.0 112.456 -177.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' D' ' 317' ' ' ARG . 20.8 Cg_endo -64.06 -32.18 64.61 Favored 'Trans proline' 0 C--N 1.315 -1.212 0 C-N-CA 121.821 1.681 . . . . 0.0 111.497 176.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.484 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.95 -38.88 86.93 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.253 -0.904 . . . . 0.0 109.451 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.99 -39.67 72.33 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.97 -39.41 94.06 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 118.013 -1.475 . . . . 0.0 109.515 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.67 -45.3 93.43 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 122.575 1.179 . . . . 0.0 108.723 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.484 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.5 t -62.62 -42.27 95.35 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.679 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.488 ' NZ ' HD13 ' A' ' 13' ' ' ILE . 81.6 mttt -63.84 -40.29 96.24 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.227 -0.921 . . . . 0.0 109.795 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.75 -39.78 80.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.501 -0.749 . . . . 0.0 109.536 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.94 91.74 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.658 -1.276 . . . . 0.0 109.4 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.35 -16.19 43.65 Favored 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.99 -10.49 86.23 Favored Glycine 0 N--CA 1.479 1.549 0 O-C-N 119.941 -1.724 . . . . 0.0 109.336 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.28 32.93 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.191 -1.77 . . . . 0.0 110.044 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.56 -30.03 59.54 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.18 -0.95 . . . . 0.0 112.31 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.54 10.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 119.8 -1.813 . . . . 0.0 112.819 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.29 35.41 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 171.27 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.67 136.64 60.23 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.435 0 CA-C-O 122.203 1.001 . . . . 0.0 109.333 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.91 143.17 51.0 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 123.042 1.401 . . . . 0.0 109.991 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.2 t -108.13 129.95 61.5 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.733 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 173.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.42 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.45 119.5 26.27 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.84 -1.162 . . . . 0.0 108.951 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.2 t -122.46 122.65 39.47 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.935 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.67 38.99 24.2 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.946 -1.096 . . . . 0.0 112.801 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 10.98 83.59 Favored Glycine 0 N--CA 1.5 2.939 0 O-C-N 119.873 -1.767 . . . . 0.0 112.585 177.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.85 136.29 54.54 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.274 -2.121 . . . . 0.0 105.274 177.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.8 158.54 33.12 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.748 1.737 . . . . 0.0 112.492 -176.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.44 31.47 Favored 'General case' 0 C--N 1.278 -2.515 0 CA-C-N 112.492 -2.14 . . . . 0.0 108.548 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.59 135.94 48.85 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 105.612 -1.995 . . . . 0.0 105.612 173.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.9 -6.81 47.61 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.769 -1.207 . . . . 0.0 110.785 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.5 12.91 31.72 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.603 -1.31 . . . . 0.0 109.332 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 98.5 p -133.07 104.19 6.4 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.185 0.993 . . . . 0.0 110.167 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.19 -37.92 72.89 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.992 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 348' ' ' PHE . . . . . 0.59 ' CE1' ' O ' ' C' ' 66' ' ' GLY . 63.6 m-85 -58.96 -51.33 70.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.602 -1.312 . . . . 0.0 113.017 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.05 -32.49 70.64 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 119.575 -1.953 . . . . 0.0 109.165 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.69 75.72 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.971 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.547 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.65 -10.46 52.45 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.615 -0.678 . . . . 0.0 109.989 -177.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 352' ' ' THR . . . . . 0.528 HG22 ' HB3' ' C' ' 63' ' ' ALA . 40.2 p -89.76 -7.74 53.79 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 118.087 -1.445 . . . . 0.0 110.982 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.3 159.35 15.31 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.243 -0.91 . . . . 0.0 110.201 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.87 2.97 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 106.931 -2.468 . . . . 0.0 106.931 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.1 mt -119.64 47.38 1.73 Allowed 'General case' 0 C--N 1.31 -1.134 0 O-C-N 120.666 -1.491 . . . . 0.0 107.42 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.754 HG22 HG21 ' C' ' 56' ' ' THR . 47.9 p -81.45 172.52 13.42 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.168 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.69 140.96 57.31 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.801 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.22 79.09 Favored Glycine 0 N--CA 1.501 3.001 0 C-N-CA 119.953 -1.118 . . . . 0.0 111.348 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.45 135.96 34.04 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.884 -1.362 . . . . 0.0 110.605 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.63 123.75 49.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.481 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.2 m -112.24 160.04 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 117.4 -1.72 . . . . 0.0 110.59 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.42 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.3 m -108.84 128.29 54.77 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.517 -1.364 . . . . 0.0 107.631 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.82 121.42 60.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 176.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.405 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.22 50.7 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.547 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.39 47.24 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.825 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.14 110.8 6.44 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 118.588 -1.245 . . . . 0.0 107.996 178.214 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.2 -170.26 40.1 Favored Glycine 0 C--N 1.295 -1.696 0 C-N-CA 118.011 -2.042 . . . . 0.0 110.328 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.64 82.8 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-N 114.338 -0.931 . . . . 0.0 112.201 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.0 36.67 3.58 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 115.946 -2.302 . . . . 0.0 108.614 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.34 -33.52 65.71 Favored 'General case' 0 N--CA 1.521 3.108 0 N-CA-C 116.831 2.159 . . . . 0.0 116.831 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.435 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.56 27.43 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 119.583 -1.948 . . . . 0.0 110.984 -176.527 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.775 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.7 -40.6 97.18 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.47 77.74 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 117.437 -1.705 . . . . 0.0 110.078 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.0 t -66.83 -42.19 88.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-O 122.279 1.038 . . . . 0.0 109.289 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.93 76.45 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 122.119 0.961 . . . . 0.0 108.732 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.775 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.82 -38.35 76.54 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.657 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.4 mt -75.52 -28.71 59.21 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.347 -1.471 . . . . 0.0 110.887 -174.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -39.54 71.56 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.408 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.86 -49.29 62.93 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.27 -45.22 84.27 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.512 177.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.481 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.4 -37.32 85.31 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.838 -1.164 . . . . 0.0 111.517 -177.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.82 61.68 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.133 -0.979 . . . . 0.0 110.252 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.92 -32.3 45.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.492 -0.755 . . . . 0.0 111.346 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.46 12.26 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 124.289 1.995 . . . . 0.0 112.847 178.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.808 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.7 tt0 . . . . . 0 C--N 1.276 -2.589 0 CA-C-N 111.136 -2.757 . . . . 0.0 110.136 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.588 ' O1 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -57.46 -36.22 71.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 6' ' ' GLU . 51.1 tp10 -59.73 -74.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.436 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.7 mt -38.35 -38.13 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.63 -47.43 78.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.848 0.356 . . . . 1.9399999999999999 110.293 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.0 mt-10 -67.91 -35.88 79.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.245 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.65 -42.97 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.386 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.655 HG21 HG13 ' A' ' 73' ' ' VAL . 70.2 t -60.88 -43.94 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.92 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.44 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.3 mtp -59.2 -42.45 90.94 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.512 -0.551 . . . . 0.17999999999999999 109.512 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.4 -41.86 97.9 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.38 -42.34 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.154 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.0 -44.21 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.20000000000000001 109.748 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.519 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.9 mt -63.9 -44.09 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.992 -0.549 . . . . 0.01 109.995 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -61.98 -45.76 92.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.784 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.29 -44.59 95.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.931 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.64 -43.38 99.07 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.48 -43.5 97.11 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -50.17 74.48 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.889 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.61 -45.94 90.44 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.423 ' HB2' HH22 ' D' ' 317' ' ' ARG . 11.7 t -55.68 -43.99 76.88 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.91 -43.15 96.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.68 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.02 -50.87 72.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.26 -40.86 87.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.622 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.64 88.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.763 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.35 86.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.717 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.28 -45.36 94.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.505 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.69 -41.72 74.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.62 -41.91 98.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.765 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.76 92.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.719 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.56 -29.04 69.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.152 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -81.14 -5.04 57.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.482 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.84 15.36 67.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.7 79.64 2.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.744 0.306 . . . . 0.0 110.267 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.56 -34.47 78.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.629 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.35 84.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.007 0.432 . . . . 0.0 110.742 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.94 -35.47 80.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.377 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.63 82.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.573 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -62.44 -42.48 99.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.665 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.22 97.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.738 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.55 -42.0 92.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.519 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.515 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.9 mtm -64.73 -40.45 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.635 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -61.51 -47.94 83.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.013 0.435 . . . . 0.0 110.558 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.42 -41.11 98.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.219 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.28 -46.74 89.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.539 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -60.43 -42.99 97.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.326 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.81 -43.62 97.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.243 0.544 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.223 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.665 HD21 ' OG ' ' A' ' 84' ' ' SER . 12.5 mt -65.43 -39.52 92.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.59 -43.23 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.236 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.43 -39.86 92.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.228 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.9 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.47 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -61.13 -39.39 89.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.019 -0.537 . . . . 0.089999999999999997 110.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.9 mt -60.21 -43.87 95.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.77 -42.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.973 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.83 -43.87 97.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.247 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.5 m -56.46 -43.32 79.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.059999999999999998 110.045 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.15 -39.37 92.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.49 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' A' ' 4' ' ' LEU . 96.0 mt -64.93 -31.28 72.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.663 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.471 ' CG1' HD22 ' A' ' 74' ' ' LEU . 96.6 mt -84.0 -33.38 9.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.050000000000000003 110.871 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -82.55 -7.59 59.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.476 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.8 -172.91 0.03 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -88.76 109.27 20.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 110.565 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.04 143.44 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.1 158.67 50.41 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.85 121.0 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.697 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.61 -9.59 71.21 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -98.64 141.96 30.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.731 0.3 . . . . 0.0 110.413 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -81.68 -165.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -88.85 -9.19 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.94 0.4 . . . . 0.0 110.937 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.4 t -104.04 124.13 58.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.697 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.505 ' O ' HG23 ' A' ' 75' ' ' VAL . 95.7 p -129.55 161.61 30.11 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.18 -44.47 83.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.665 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.655 HG13 HG21 ' A' ' 8' ' ' VAL . 66.6 t -64.46 -48.02 86.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.865 0.364 . . . . 0.0 110.553 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.471 HD22 ' CG1' ' A' ' 59' ' ' ILE . 97.4 mt -64.07 -42.16 97.08 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.228 -0.442 . . . . 0.11 110.928 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 71' ' ' SER . 53.3 t -59.5 -47.63 90.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.726 -0.67 . . . . 0.38 110.103 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -58.16 -46.95 84.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.799 0.333 . . . . 0.0 110.347 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.89 96.1 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.75 0.31 . . . . 0.059999999999999998 110.612 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.62 -41.47 99.02 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.248 -0.433 . . . . 1.0900000000000001 110.166 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 83' ' ' THR . 40.8 tp -56.48 -46.75 80.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.417 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.651 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 47.1 m80 -67.36 -46.17 74.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.302 -0.408 . . . . 0.080000000000000002 110.665 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.72 -46.21 91.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.793 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.04 -42.48 98.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.182 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.8 p -62.84 -45.15 93.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.125 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.665 ' OG ' HD21 ' A' ' 48' ' ' LEU . 11.6 t -62.57 -49.12 76.55 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.449 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.82 -48.26 80.26 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.719 0.295 . . . . 0.0 110.58 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.25 -45.19 95.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 110.068 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.29 83.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.869 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 HD12 ' A' ' 48' ' ' LEU . 56.6 ttp180 -57.8 -45.87 85.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.143 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.583 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 98.1 mt-10 -62.1 -43.51 98.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.086 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.43 -43.0 91.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.13 0.491 . . . . 0.0 109.856 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.553 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 70.9 mt -60.25 -42.36 90.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.238 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.0 m -57.68 -45.98 84.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.83 -44.64 95.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.562 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.79 -44.42 90.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.515 HD12 ' SD ' ' A' ' 41' ' ' MET . 91.1 mt -61.37 -42.82 95.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.483 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -60.91 -39.39 89.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.63 -41.59 99.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.786 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -59.29 -39.65 83.65 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.473 ' O ' ' O ' ' A' ' 102' ' ' LYS . 10.6 tm-20 -63.25 -38.83 92.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.554 ' NZ ' ' CD2' ' B' ' 98' ' ' HIS . 98.2 mttt -64.57 -39.5 93.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.214 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.03 -42.14 94.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.391 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 99' ' ' GLU . 64.2 mttp -90.8 140.19 30.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.464 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.566 0 CA-C-O 117.911 -1.043 . . . . 0.0 110.508 179.865 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -56.96 -36.42 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 6' ' ' GLU . 50.6 tp10 -59.57 -74.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.491 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.617 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.8 mt -38.36 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.498 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.74 -47.49 78.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.863 0.363 . . . . 1.9399999999999999 110.32 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt-10 -67.61 -35.98 79.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.237 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.56 -43.26 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.34 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.639 HG21 HG13 ' B' ' 73' ' ' VAL . 70.6 t -60.84 -43.71 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.87 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -59.54 -42.06 91.48 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.501 -0.555 . . . . 0.17999999999999999 109.501 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.04 97.51 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.3 -42.52 99.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.826 0.346 . . . . 0.0 110.421 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.87 -44.4 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.28999999999999998 109.685 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.57 -44.29 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.875 -0.602 . . . . 0.02 109.926 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.8 -45.6 93.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.851 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.45 -44.44 95.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.09 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.26 99.23 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.55 -43.59 96.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.23 74.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.915 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.583 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 76.7 ttt180 -59.6 -45.88 90.61 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -55.81 -43.87 77.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.91 -43.33 96.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.747 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.553 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -58.9 -51.08 71.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.47 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.0 m-85 -59.27 -40.8 87.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.691 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.81 88.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.685 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.23 86.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.612 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.62 -45.46 93.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.383 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.66 -41.77 74.12 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.51 -41.93 98.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.857 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.84 93.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.667 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.3 -29.15 69.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.084 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -81.34 -4.87 56.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.387 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.59 15.57 68.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.77 79.2 2.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.714 0.292 . . . . 0.0 110.303 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -64.34 -34.51 78.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.604 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.44 -47.62 83.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.947 0.403 . . . . 0.0 110.742 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.2 80.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.429 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.75 -47.83 81.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.555 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.28 -42.74 99.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.556 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.3 98.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.62 -42.22 91.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.527 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.522 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.9 mtm -64.27 -40.67 96.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.557 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.68 -47.93 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.458 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.28 -41.01 98.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.269 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.49 -46.61 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.457 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -60.7 -42.86 98.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.332 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -60.76 -43.51 97.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.225 0.536 . . . . 0.0 110.617 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.28 99.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.177 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.674 HD21 ' OG ' ' B' ' 84' ' ' SER . 12.0 mt -65.55 -39.62 91.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.756 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.61 -43.12 97.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.03 -40.06 94.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.172 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.92 76.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.453 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.33 -39.09 89.24 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.089999999999999997 110.248 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.44 -43.99 96.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.39 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.37 -43.48 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.08 0.467 . . . . 0.0 110.029 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -60.15 -44.11 95.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.8 m -56.49 -43.37 79.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.059999999999999998 110.01 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.16 -39.17 91.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.568 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' B' ' 4' ' ' LEU . 96.3 mt -64.9 -31.21 72.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.756 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.462 ' CG1' HD22 ' B' ' 74' ' ' LEU . 96.8 mt -83.97 -33.69 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.023 -0.535 . . . . 0.040000000000000001 110.691 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -82.1 -7.86 59.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.37 -173.42 0.03 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -88.44 109.44 20.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.546 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 143.71 51.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.403 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.2 159.35 49.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.52 120.67 14.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.596 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.83 -9.28 70.79 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.72 142.12 30.67 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.667 0.27 . . . . 0.0 110.487 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -81.85 -164.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -89.13 -8.83 53.0 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.828 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.11 124.22 59.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.776 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.545 ' O ' HG23 ' B' ' 75' ' ' VAL . 91.9 p -129.29 164.14 24.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.591 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.16 -44.14 95.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.581 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.639 HG13 HG21 ' B' ' 8' ' ' VAL . 58.9 t -63.68 -47.31 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.576 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.462 HD22 ' CG1' ' B' ' 59' ' ' ILE . 97.2 mt -64.63 -41.16 96.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.076 0.465 . . . . 0.11 111.004 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 71' ' ' SER . 52.5 t -60.4 -46.88 94.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.766 -0.652 . . . . 0.38 110.307 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.464 ' O ' ' HD2' ' B' ' 80' ' ' HIS . 58.7 t-80 -58.95 -46.41 88.11 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.763 -0.375 . . . . 1.1100000000000001 110.339 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.55 95.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.866 0.365 . . . . 0.059999999999999998 110.379 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -63.16 -41.26 99.22 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.119 -0.491 . . . . 1.0900000000000001 110.221 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.501 ' O ' HG23 ' B' ' 83' ' ' THR . 41.4 tp -56.87 -46.6 81.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.382 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.464 ' HD2' ' O ' ' B' ' 76' ' ' HIS . 30.2 m-70 -67.35 -46.18 74.15 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.734 -0.386 . . . . 0.080000000000000002 110.687 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.84 -46.36 90.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.844 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -60.41 -43.31 96.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.235 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.501 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.1 p -62.17 -45.77 91.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.206 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.674 ' OG ' HD21 ' B' ' 48' ' ' LEU . 11.8 t -61.66 -49.33 76.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.642 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.98 -48.14 80.89 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.456 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.45 -44.74 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.72 83.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.89 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.407 HH11 HD12 ' B' ' 48' ' ' LEU . 56.5 ttp180 -57.47 -46.09 84.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.595 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 97.8 mt-10 -61.66 -43.72 98.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.096 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.67 -42.51 91.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.121 0.486 . . . . 0.0 110.011 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.553 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 73.1 mt -60.38 -42.18 89.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.19 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 71.8 m -58.13 -45.48 87.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.039 0.447 . . . . 0.0 109.874 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.18 -44.47 95.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.491 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.87 -44.45 91.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.522 HD12 ' SD ' ' B' ' 41' ' ' MET . 90.5 mt -61.44 -42.96 95.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.553 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -60.59 -39.5 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.67 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.55 -41.31 98.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.873 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.554 ' CD2' ' NZ ' ' A' ' 100' ' ' LYS . 60.1 m80 -59.34 -39.9 84.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.789 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 102' ' ' LYS . 10.2 tm-20 -63.03 -38.96 93.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.115 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' LYS . . . . . 0.56 ' NZ ' ' CD2' ' C' ' 98' ' ' HIS . 98.2 mttt -64.38 -39.96 94.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.213 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.42 -42.32 96.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.423 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' B' ' 99' ' ' GLU . 64.4 mttp -90.93 140.4 29.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.541 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -57.63 -35.83 71.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' C' ' 6' ' ' GLU . 51.0 tp10 -60.12 -74.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.35 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.635 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.6 mt -38.15 -38.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.429 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.61 -47.8 77.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.879 0.371 . . . . 1.9399999999999999 110.396 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.2 mt-10 -67.43 -36.04 80.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.298 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.409 HG11 HD11 ' C' ' 58' ' ' LEU . 76.2 t -63.41 -42.91 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.324 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.635 HG23 ' O ' ' C' ' 4' ' ' LEU . 69.6 t -61.19 -43.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.979 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.1 -42.4 90.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.624 -0.51 . . . . 0.17999999999999999 109.624 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.75 98.03 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.54 -42.23 98.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.403 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.16 -44.09 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.956 -0.565 . . . . 0.29999999999999999 109.712 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.8 -44.18 98.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.538 . . . . 0.02 110.048 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -61.88 -45.71 92.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.781 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.36 -44.43 95.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.17 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.04 -42.91 99.5 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.8 -43.55 95.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.22 74.23 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.595 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 76.7 ttt180 -59.32 -46.2 89.24 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 12.0 t -55.58 -44.17 76.64 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.59 -43.04 98.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.773 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.559 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.14 -51.11 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.455 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 7.9 m-85 -59.24 -40.95 87.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.508 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.9 88.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.694 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.42 86.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.525 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.34 -45.35 94.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.474 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.86 -41.3 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.08 -41.62 98.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.891 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.81 93.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.803 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.62 -29.15 69.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.085 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -80.98 -4.84 56.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.475 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.55 15.45 68.43 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -99.01 79.53 2.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.718 0.294 . . . . 0.0 110.302 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -64.67 -34.39 78.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.551 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.57 83.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 110.708 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.35 80.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.416 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.99 80.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.447 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -61.76 -42.85 99.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.651 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.63 99.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.743 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.41 -42.16 92.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.522 ' SD ' HD12 ' C' ' 95' ' ' ILE . 75.0 mtm -64.36 -40.53 96.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.58 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -61.77 -48.33 81.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.424 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.73 -41.53 99.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.01 -46.69 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -60.88 -42.44 97.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.326 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.1 ttp -61.14 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.311 0.576 . . . . 0.0 110.537 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.31 99.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.312 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.663 HD21 ' OG ' ' C' ' 84' ' ' SER . 12.2 mt -65.54 -40.05 92.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.793 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.13 -43.18 95.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.27 -40.45 93.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.089 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -44.96 78.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.454 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.556 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.1 t60 -61.16 -39.31 89.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.991 -0.55 . . . . 0.089999999999999997 110.347 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' C' ' 53' ' ' LEU . 38.4 mt -60.54 -44.04 96.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.04 -43.4 96.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.002 0.43 . . . . 0.0 109.979 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -60.4 -44.12 96.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.246 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.747 HG21 HG22 ' D' ' 356' ' ' THR . 17.1 m -56.36 -43.19 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.059999999999999998 110.11 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.34 -38.97 91.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 110.508 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' C' ' 4' ' ' LEU . 97.1 mt -65.06 -31.09 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.792 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.471 ' CG1' HD22 ' C' ' 74' ' ' LEU . 96.9 mt -84.05 -33.55 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.059999999999999998 110.852 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 -82.11 -7.97 59.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.463 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.25 -173.76 0.03 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -88.34 109.12 19.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.358 . . . . 0.0 110.518 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.8 143.65 52.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.29 159.31 50.13 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.35 121.2 15.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 110.641 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.3 -9.29 72.16 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -98.82 142.08 30.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.69 0.281 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -82.02 -164.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.558 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -89.44 -8.71 52.42 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.89 123.7 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.77 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.555 ' O ' HG23 ' C' ' 75' ' ' VAL . 93.3 p -128.13 166.29 18.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.482 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' C' ' 72' ' ' LEU . 48.7 mt -61.77 -43.22 99.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.698 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.596 HG13 HG21 ' C' ' 8' ' ' VAL . 53.7 t -65.25 -47.37 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 130.108 3.363 . . . . 0.0 110.592 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.471 HD22 ' CG1' ' C' ' 59' ' ' ILE . 95.5 mt -67.03 -40.57 87.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.084 0.468 . . . . 0.11 110.998 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.555 HG23 ' O ' ' C' ' 71' ' ' SER . 52.4 t -60.93 -47.36 93.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.833 -0.621 . . . . 0.40000000000000002 110.218 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 58.9 t-80 -58.85 -46.51 87.57 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.845 -0.342 . . . . 1.02 110.371 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.54 95.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.88 0.371 . . . . 0.059999999999999998 110.44 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -62.95 -41.25 99.46 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0900000000000001 110.305 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.513 ' O ' HG23 ' C' ' 83' ' ' THR . 41.5 tp -56.9 -46.52 81.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.517 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 48.9 m80 -67.53 -45.94 74.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.3 -0.409 . . . . 0.080000000000000002 110.808 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.05 -45.96 92.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.807 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -60.89 -43.19 98.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.45 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.513 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.7 p -62.1 -45.54 93.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.194 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 84' ' ' SER . . . . . 0.663 ' OG ' HD21 ' C' ' 48' ' ' LEU . 11.5 t -62.19 -49.15 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.08 -47.85 81.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.713 0.292 . . . . 0.0 110.535 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.56 -44.76 96.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.929 0.395 . . . . 0.0 110.152 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.28 84.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.968 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.416 HH11 HD12 ' C' ' 48' ' ' LEU . 56.6 ttp180 -57.71 -46.23 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.275 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.36 -43.91 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 0.0 110.165 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.41 -42.82 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.245 0.545 . . . . 0.0 110.033 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.559 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 74.0 mt -60.15 -42.22 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.402 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -58.13 -45.34 87.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.093 0.473 . . . . 0.0 110.021 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.3 -44.27 95.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.52 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 84.7 mt -58.99 -44.55 91.62 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.522 HD12 ' SD ' ' C' ' 41' ' ' MET . 90.1 mt -61.29 -43.01 95.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.557 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -60.38 -39.65 88.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.748 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.43 -41.83 99.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.879 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.56 ' CD2' ' NZ ' ' B' ' 100' ' ' LYS . 60.3 m80 -58.89 -40.05 83.3 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.3 tm-20 -62.88 -39.02 93.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.114 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.28 -39.62 94.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.24 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.81 -42.53 94.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.314 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.3 mttp -90.6 140.57 29.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.504 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.554 -179.919 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.857 0.837 . . . . 0.0 108.957 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.8 142.98 36.66 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.94 156.39 38.8 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.054 -1.029 . . . . 0.0 109.521 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.19 149.18 28.47 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.33 18.97 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.981 -1.074 . . . . 0.0 108.372 178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.8 144.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.7 136.6 37.0 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.158 0.98 . . . . 0.0 110.165 177.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.98 114.31 24.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.88 -4.27 19.37 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.82 85.84 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.696 -1.878 . . . . 0.0 110.631 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.49 -47.69 12.84 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 124.749 3.633 . . . . 0.0 114.17 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.556 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 99.1 m-20 -102.13 27.56 6.55 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 116.082 -2.247 . . . . 0.0 108.795 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.22 -127.14 26.65 Favored Glycine 0 N--CA 1.496 2.696 0 C-N-CA 117.61 -2.233 . . . . 0.0 109.617 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.548 HD21 HD23 ' D' ' 384' ' ' LEU . 0.8 OUTLIER -130.02 74.92 1.62 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.915 -1.344 . . . . 0.0 109.551 -177.323 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -80.07 175.43 10.65 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.883 -1.527 . . . . 0.0 112.145 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.533 ' OG1' ' O1 ' ' D' ' 200' ' ' PO3 . 63.9 p -22.99 -69.09 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -176.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.423 HH22 ' HB2' ' A' ' 20' ' ' SER . 18.7 ttt180 -44.02 -66.0 0.52 Allowed Pre-proline 0 N--CA 1.493 1.683 0 C-N-CA 120.104 -0.638 . . . . 0.0 112.554 -177.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.71 -32.25 57.41 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 121.973 1.782 . . . . 0.0 111.469 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.503 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.83 86.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.208 -0.932 . . . . 0.0 109.47 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.94 -39.69 72.49 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.94 -39.38 94.03 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 117.999 -1.48 . . . . 0.0 109.516 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.68 -45.3 93.42 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.569 1.176 . . . . 0.0 108.692 -177.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.503 HG23 ' O ' ' D' ' 319' ' ' ALA . 61.1 t -62.68 -42.3 95.56 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.645 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.443 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 95.7 mttt -63.85 -40.22 96.07 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.784 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.66 79.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 109.589 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.01 91.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.571 -1.331 . . . . 0.0 109.444 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.42 -16.09 43.38 Favored 'General case' 0 N--CA 1.511 2.588 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.69 86.03 Favored Glycine 0 N--CA 1.479 1.531 0 O-C-N 119.921 -1.737 . . . . 0.0 109.3 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.33 143.34 32.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.26 -1.729 . . . . 0.0 110.054 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.67 -29.98 59.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.276 -0.89 . . . . 0.0 112.312 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.73 158.55 10.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.778 -1.826 . . . . 0.0 112.82 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.585 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.29 35.46 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 171.186 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.58 60.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 CA-C-O 122.176 0.989 . . . . 0.0 109.306 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.98 143.23 51.0 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 123.124 1.44 . . . . 0.0 109.973 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.6 t -108.05 129.92 61.43 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.683 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.0 m -127.44 119.6 26.49 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.831 -1.168 . . . . 0.0 108.971 -178.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.56 122.59 39.24 Favored 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.872 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.3 t30 51.79 38.87 24.3 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.908 -1.12 . . . . 0.0 112.752 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.62 11.05 83.54 Favored Glycine 0 N--CA 1.502 3.046 0 O-C-N 119.853 -1.779 . . . . 0.0 112.519 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.88 136.25 54.57 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 105.274 -2.121 . . . . 0.0 105.274 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.73 158.5 33.12 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-O 123.76 1.743 . . . . 0.0 112.46 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.36 31.37 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 112.539 -2.118 . . . . 0.0 108.646 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.55 136.02 48.97 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.429 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.95 -6.87 48.19 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.727 -1.233 . . . . 0.0 110.695 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.44 12.93 31.57 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.61 -1.306 . . . . 0.0 109.392 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.1 t -133.09 104.13 6.36 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 122.206 1.003 . . . . 0.0 110.119 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.44 HD22 ' CE ' ' A' ' 9' ' ' MET . 55.1 tp -57.2 -37.91 72.89 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.985 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -58.84 -51.39 70.2 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.512 -1.368 . . . . 0.0 113.041 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.5 70.7 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 119.538 -1.976 . . . . 0.0 109.225 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.79 75.88 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.888 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.526 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.69 -10.42 52.21 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.63 -0.669 . . . . 0.0 109.883 -177.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.6 p -89.75 -7.74 53.8 Favored 'General case' 0 N--CA 1.501 2.124 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.888 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.404 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.9 mt -93.35 159.31 15.32 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.139 -0.976 . . . . 0.0 110.118 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.83 2.96 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 106.94 -2.464 . . . . 0.0 106.94 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.59 47.41 1.72 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 120.729 -1.453 . . . . 0.0 107.353 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.747 HG22 HG21 ' C' ' 56' ' ' THR . 3.2 p -81.51 172.62 13.27 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.189 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -60.75 140.98 57.38 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.286 -0.966 . . . . 0.0 109.84 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.27 79.1 Favored Glycine 0 N--CA 1.501 3.003 0 C-N-CA 119.996 -1.097 . . . . 0.0 111.384 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.38 135.93 34.09 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.94 -1.329 . . . . 0.0 110.609 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.58 123.78 49.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.485 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.1 m -112.26 160.06 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 C-N-CA 117.347 -1.741 . . . . 0.0 110.611 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.4 m -108.81 128.43 54.89 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.588 -1.32 . . . . 0.0 107.617 175.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.96 121.38 60.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 176.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.27 50.71 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 -179.569 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.33 47.09 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 118.534 -1.267 . . . . 0.0 109.759 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.08 110.78 6.45 Favored 'General case' 0 C--N 1.287 -2.131 0 C-N-CA 118.588 -1.245 . . . . 0.0 108.074 178.212 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.28 40.13 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.047 -2.025 . . . . 0.0 110.378 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.56 82.9 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-N 114.403 -0.899 . . . . 0.0 112.173 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.05 36.72 3.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 115.886 -2.326 . . . . 0.0 108.581 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.59 65.75 Favored 'General case' 0 N--CA 1.521 3.1 0 N-CA-C 116.817 2.154 . . . . 0.0 116.817 -174.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.466 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.66 27.37 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 119.541 -1.974 . . . . 0.0 110.918 -176.507 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.783 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.68 97.6 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.5 77.6 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 117.483 -1.687 . . . . 0.0 110.028 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.73 -42.29 89.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 122.173 0.987 . . . . 0.0 109.283 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.83 -47.95 76.32 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 122.074 0.94 . . . . 0.0 108.712 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.783 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.2 m80 -69.72 -38.38 76.87 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.753 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.2 mt -75.55 -28.65 59.1 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.447 -1.408 . . . . 0.0 110.904 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.41 -39.54 71.62 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.27 62.93 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.22 -45.23 84.05 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.557 177.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.485 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.3 85.19 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.881 -1.137 . . . . 0.0 111.536 -177.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.81 61.6 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.062 -1.023 . . . . 0.0 110.26 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.89 -32.37 45.78 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.49 -0.756 . . . . 0.0 111.335 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.548 HD23 HD21 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -49.99 125.44 12.08 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 124.317 2.008 . . . . 0.0 112.917 178.674 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.4 mm-40 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.181 -2.736 . . . . 0.0 110.17 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.651 ' O1 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -57.74 -37.32 73.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.2 mt-10 -62.39 -68.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.9 mt -38.21 -39.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.471 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.8 -47.1 79.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.835 0.35 . . . . 1.9399999999999999 110.274 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.6 mt-10 -67.22 -37.17 83.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.303 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 58' ' ' LEU . 72.1 t -63.53 -42.72 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.396 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 4' ' ' LEU . 93.5 t -60.22 -44.8 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.928 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.45 -42.14 91.27 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.518 -0.549 . . . . 0.17999999999999999 109.518 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.77 97.8 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 11' ' ' LEU . 36.5 mt -63.24 -42.39 99.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 110.247 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.97 -44.46 99.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.20000000000000001 109.763 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.5 mt -63.43 -43.84 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 0.01 109.987 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.492 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.8 t-20 -60.27 -46.32 90.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.785 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.8 p -59.27 -43.2 92.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.978 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.42 99.68 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.01 -42.73 99.89 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.68 76.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -60.52 -46.33 90.54 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -55.14 -44.85 75.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.97 -42.64 99.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.79 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.651 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.5 -50.25 74.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.44 -42.51 92.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.614 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.23 -42.3 90.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.765 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.79 84.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.641 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.41 -45.35 94.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.459 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' NZ ' ' OE1' ' A' ' 31' ' ' GLN . 66.1 tttm -55.63 -43.17 75.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.2 mt-30 -61.66 -41.6 97.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.757 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.75 92.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.699 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.75 -28.98 69.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.146 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.503 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 27.3 mt-30 -79.77 -4.51 52.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.373 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.87 13.46 69.4 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.9 79.54 2.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -64.86 -35.12 80.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.702 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.74 82.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.019 0.437 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -66.07 -35.16 79.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.386 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -48.07 80.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.599 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.01 -42.44 99.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.584 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.23 99.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.65 -40.63 92.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.88 -41.08 99.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -62.47 -44.23 96.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.994 0.426 . . . . 0.0 110.537 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.21 -41.68 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.227 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -60.55 -45.65 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.05 -42.48 98.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.3 tpp -60.98 -43.71 98.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.224 0.535 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.36 99.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.218 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.92 -39.5 90.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -41.79 97.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.325 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -65.65 -39.34 91.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.148 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.492 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.68 -43.34 80.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.465 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -62.7 -37.98 88.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.022 -0.535 . . . . 0.089999999999999997 110.325 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.3 mt -61.29 -44.53 97.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.322 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.31 -43.01 95.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.044 0.45 . . . . 0.0 110.061 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.644 HE21 ' CD2' ' A' ' 74' ' ' LEU . 46.1 tp60 -60.47 -42.82 97.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.256 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 m -56.86 -42.91 80.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.059999999999999998 110.055 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.67 -41.02 96.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.535 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.502 HD22 ' CD2' ' A' ' 4' ' ' LEU . 95.1 mt -67.38 -37.39 83.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.563 HG23 HG12 ' A' ' 70' ' ' VAL . 94.5 mt -68.5 -39.29 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.050000000000000003 110.908 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -79.69 -15.06 58.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.9 -21.39 28.38 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 64' ' ' GLY . 96.9 m-20 -95.32 -22.13 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 77.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.563 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -72.64 148.55 42.03 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -72.19 116.01 12.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.743 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.09 -7.0 78.97 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' MET . 68.8 mttm -100.25 147.16 26.05 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.762 0.315 . . . . 0.0 110.443 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.475 ' O ' ' O ' ' A' ' 69' ' ' LYS . 67.4 mtt -38.65 157.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.641 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.592 ' HG2' HG13 ' A' ' 70' ' ' VAL . 48.8 tttp -40.64 -97.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.849 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.592 HG13 ' HG2' ' A' ' 69' ' ' LYS . 22.8 m -87.27 -149.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.692 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' A' ' 74' ' ' LEU . 11.1 p -136.07 171.76 13.99 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.5 HD23 ' SD ' ' C' ' 68' ' ' MET . 54.7 tp -56.66 -46.73 80.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.644 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG1' HG21 ' A' ' 8' ' ' VAL . 54.6 t -62.54 -44.99 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.879 0.371 . . . . 0.0 110.554 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.644 ' CD2' HE21 ' A' ' 55' ' ' GLN . 31.8 mt -61.2 -40.18 92.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.012 0.434 . . . . 0.11 110.904 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 71' ' ' SER . 45.3 t -58.89 -47.01 90.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.816 -0.629 . . . . 0.38 110.225 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -58.88 -46.47 87.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.773 0.32 . . . . 0.0 110.309 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -62.75 -43.39 98.92 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.53 -0.305 . . . . 0.059999999999999998 110.641 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.502 HE21 HD11 ' A' ' 59' ' ' ILE . 85.6 mt-30 -61.82 -39.15 90.79 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.249 -0.432 . . . . 1.0900000000000001 110.201 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 83' ' ' THR . 38.6 tp -56.62 -46.56 80.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.33 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.627 ' CE1' ' O1 ' ' D' ' 200' ' ' PO3 . 87.3 m-70 -67.07 -45.97 75.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.355 -0.384 . . . . 0.080000000000000002 110.685 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.03 -45.99 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.853 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.76 -42.02 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.227 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.2 p -64.41 -46.61 82.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.1 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 m -62.23 -48.75 78.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.99 -48.26 80.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.488 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.33 -45.02 96.18 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.06 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.78 83.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.844 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -58.55 -45.43 88.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.161 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.62 -43.66 98.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.093 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.47 -42.68 95.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 0.0 109.884 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.651 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.1 mt -60.17 -42.05 88.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.314 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.5 -46.08 84.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.962 0.41 . . . . 0.0 109.895 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.52 -43.84 97.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.599 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.4 mt -59.24 -43.62 92.38 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.17 -42.54 93.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.426 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.22 -39.96 92.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 109.759 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.43 -41.59 98.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.818 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.7 m80 -59.5 -40.25 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.27 -40.91 97.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.157 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.09 -38.31 90.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.177 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.56 -41.83 96.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.365 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -80.59 141.95 34.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.514 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.6 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -57.59 -37.39 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.574 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -62.08 -69.23 0.26 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.466 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.736 ' O ' HG23 ' B' ' 8' ' ' VAL . 98.2 mt -38.16 -38.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.418 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.89 -47.06 79.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 1.9399999999999999 110.38 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.9 mt-10 -67.15 -37.28 83.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.116 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.488 HG11 HD11 ' B' ' 58' ' ' LEU . 72.0 t -63.53 -42.53 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 4' ' ' LEU . 93.5 t -60.49 -44.71 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.845 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.8 mtp -59.54 -42.45 92.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.55 -0.537 . . . . 0.17999999999999999 109.55 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.22 97.96 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 11' ' ' LEU . 36.7 mt -62.68 -42.46 99.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.813 0.34 . . . . 0.0 110.404 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.417 ' O ' ' OG ' ' B' ' 15' ' ' SER . 92.5 mt -63.07 -44.41 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.28999999999999998 109.708 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.37 -43.99 98.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.02 109.907 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.8 t-20 -60.11 -46.16 90.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.89 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 12' ' ' ILE . 78.1 p -59.34 -43.07 92.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.125 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.15 -41.84 99.61 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -63.51 -42.99 98.48 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.0 74.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.861 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.2 -46.42 89.8 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -55.03 -44.97 75.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.98 -42.91 99.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.683 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.631 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.25 -50.21 74.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.61 -42.15 91.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.671 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.34 92.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.754 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.66 83.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.669 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.53 -45.69 93.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.361 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.506 ' NZ ' ' OE1' ' B' ' 31' ' ' GLN . 66.1 tttm -55.57 -42.86 75.33 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.433 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.1 mt-30 -61.74 -41.57 97.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.833 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.43 93.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.724 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.86 -29.27 70.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.022 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.506 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 27.3 mt-30 -79.59 -4.41 51.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.66 13.58 69.71 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -97.92 79.44 2.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 110.319 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -64.91 -35.02 79.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.608 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.08 80.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.763 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.433 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.69 -35.21 80.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.397 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.01 80.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.571 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.05 -42.55 99.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.569 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.52 99.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.44 -41.0 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 4.3 mmt -62.5 -41.43 98.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.538 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.98 -44.51 96.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.03 -41.53 99.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.245 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -60.91 -45.42 94.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.22 -42.52 98.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpp -60.72 -43.98 97.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.277 0.561 . . . . 0.0 110.649 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.33 99.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 48' ' ' LEU . 94.6 mt -65.76 -40.13 91.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.66 -42.16 96.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.332 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.34 -39.63 92.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.14 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.482 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.46 -43.41 81.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.464 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -62.54 -38.12 88.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.066 -0.515 . . . . 0.089999999999999997 110.326 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 53' ' ' LEU . 39.5 mt -61.18 -44.33 97.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.318 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.61 -43.33 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.074 0.464 . . . . 0.0 110.026 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.653 HE21 ' CD2' ' B' ' 74' ' ' LEU . 46.4 tp60 -60.04 -42.88 95.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.239 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 12.5 m -56.94 -43.26 81.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.059999999999999998 109.986 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.36 -40.87 95.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.924 0.392 . . . . 0.0 110.525 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.508 HD22 ' CD2' ' B' ' 4' ' ' LEU . 95.1 mt -67.6 -37.35 82.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.518 HG23 HG12 ' B' ' 70' ' ' VAL . 95.1 mt -68.51 -39.26 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.169 -0.469 . . . . 0.040000000000000001 110.745 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -79.84 -15.18 57.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.529 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.88 -21.16 29.01 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' B' ' 64' ' ' GLY . 97.0 m-20 -95.36 -22.47 17.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.321 . . . . 0.0 110.535 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.5 77.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.413 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . -73.38 148.83 41.24 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -72.19 116.48 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.594 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.67 -6.47 79.97 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' B' ' 68' ' ' MET . 68.9 mttm -100.74 147.33 26.15 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.677 0.275 . . . . 0.0 110.459 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' MET . . . . . 0.473 ' O ' ' O ' ' B' ' 69' ' ' LYS . 67.7 mtt -38.94 156.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.651 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.546 ' HG2' HG13 ' B' ' 70' ' ' VAL . 47.9 tttp -40.47 -98.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.546 HG13 ' HG2' ' B' ' 69' ' ' LYS . 22.7 m -85.44 -150.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.771 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 75' ' ' VAL . 19.3 p -135.77 172.87 12.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.583 -178.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.05 -46.23 88.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.492 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.474 ' CG1' HG21 ' B' ' 8' ' ' VAL . 54.5 t -62.0 -44.41 98.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.598 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.653 ' CD2' HE21 ' B' ' 55' ' ' GLN . 33.3 mt -61.43 -39.56 91.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.11 110.975 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 71' ' ' SER . 45.6 t -59.12 -47.32 90.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.775 -0.648 . . . . 0.38 110.295 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.464 ' NE2' ' NE2' ' B' ' 80' ' ' HIS . 48.0 t60 -58.94 -46.18 88.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.86 -0.336 . . . . 1.1100000000000001 110.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.469 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -62.91 -43.0 99.98 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.864 0.364 . . . . 0.059999999999999998 110.399 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.512 HE22 ' CE1' ' C' ' 76' ' ' HIS . 25.5 mt-30 -62.41 -38.82 91.12 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.115 -0.493 . . . . 1.0900000000000001 110.267 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.492 ' O ' HG23 ' B' ' 83' ' ' THR . 39.9 tp -57.08 -46.43 82.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.401 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.464 ' NE2' ' NE2' ' B' ' 76' ' ' HIS . 86.9 m-70 -66.97 -45.83 76.49 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.787 -0.365 . . . . 0.080000000000000002 110.69 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.38 -45.98 92.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -61.49 -42.75 99.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.259 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.492 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.0 p -63.68 -46.63 84.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.18 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -62.07 -48.73 78.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -58.16 -48.13 81.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.444 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.38 -44.9 96.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.08 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.82 -47.81 83.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.862 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.4 -45.27 88.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.202 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.91 -43.59 98.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.183 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.48 -42.47 95.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.102 0.477 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.631 HD12 ' HB1' ' B' ' 22' ' ' ALA . 73.7 mt -60.27 -42.15 89.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.191 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.52 -45.85 84.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.072 0.463 . . . . 0.0 109.86 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -62.84 -43.68 98.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.473 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.572 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.4 mt -59.33 -43.15 92.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.87 -42.54 95.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.488 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.98 -40.28 92.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 97' ' ' LEU . 81.6 mt -62.2 -41.91 98.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.867 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -59.25 -40.27 85.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.23 -40.88 97.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.047 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.13 -38.31 90.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.201 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.6 mt -64.48 -41.76 96.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.391 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -80.85 141.91 34.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.524 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.59 -37.69 73.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.598 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.1 mt-10 -61.84 -69.24 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.375 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.751 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.6 mt -38.22 -38.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.416 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.86 -47.02 79.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.857 0.361 . . . . 1.9399999999999999 110.343 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.3 mt-10 -67.13 -37.16 83.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.277 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.47 HG11 HD11 ' C' ' 58' ' ' LEU . 70.9 t -63.67 -42.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.751 HG23 ' O ' ' C' ' 4' ' ' LEU . 92.2 t -60.64 -44.64 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.925 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.2 mtp -59.73 -41.96 92.09 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.565 -0.531 . . . . 0.17999999999999999 109.565 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.3 -42.37 97.82 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' C' ' 11' ' ' LEU . 36.6 mt -62.71 -42.46 99.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.397 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.422 ' O ' ' OG ' ' C' ' 15' ' ' SER . 93.1 mt -63.01 -44.38 99.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.29999999999999999 109.677 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.36 -43.67 98.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.011 -0.54 . . . . 0.02 110.084 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.477 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 50.7 t-20 -60.74 -45.72 93.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.789 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 15' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' C' ' 12' ' ' ILE . 78.3 p -59.43 -43.31 93.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.123 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.26 99.71 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.23 -42.56 99.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.68 76.6 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -60.68 -46.17 91.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -55.26 -44.86 75.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.05 -42.66 99.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.686 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.647 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.56 -50.18 74.9 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.39 -42.29 91.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.492 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.28 92.25 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.71 84.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.593 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.38 -45.85 92.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.46 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' LYS . . . . . 0.521 ' NZ ' ' OE1' ' C' ' 31' ' ' GLN . 66.0 tttm -55.35 -43.29 74.88 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.437 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.5 mt-30 -61.53 -41.78 97.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.865 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.73 91.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.771 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.9 -29.01 69.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.091 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.521 ' OE1' ' NZ ' ' C' ' 27' ' ' LYS . 27.2 mt-30 -79.48 -4.79 52.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.09 13.47 68.83 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.9 79.11 2.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.71 0.29 . . . . 0.0 110.331 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -64.74 -35.12 80.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.532 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.82 81.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.011 0.434 . . . . 0.0 110.642 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ALA . . . . . 0.437 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.79 -35.31 80.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.11 79.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.8 -42.8 99.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.72 99.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.38 -40.93 94.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.494 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.85 -40.93 98.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.651 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.4 -44.43 96.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.483 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.99 -41.77 99.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.262 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -60.63 -45.34 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.525 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.38 -42.36 98.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.297 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 9.1 tpp -60.92 -44.21 97.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.332 0.587 . . . . 0.0 110.541 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.84 99.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.318 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' C' ' 48' ' ' LEU . 94.5 mt -65.43 -40.01 92.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.769 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.16 -41.92 97.63 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.364 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.4 -39.72 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.008 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.477 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.1 -43.7 81.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.421 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.532 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 62.0 t-80 -62.36 -37.97 87.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.089999999999999997 110.336 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.54 -44.27 97.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.303 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.36 -43.37 94.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.033 0.444 . . . . 0.0 109.92 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.649 HE21 ' CD2' ' C' ' 74' ' ' LEU . 46.3 tp60 -60.11 -43.25 95.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.215 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.818 HG21 HG22 ' D' ' 356' ' ' THR . 11.1 m -56.5 -43.04 79.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.059999999999999998 110.197 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.86 -40.38 95.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.956 0.408 . . . . 0.0 110.512 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' C' ' 4' ' ' LEU . 95.4 mt -67.83 -36.99 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.785 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.499 HG23 HG12 ' C' ' 70' ' ' VAL . 96.5 mt -68.8 -39.33 79.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.971 -0.559 . . . . 0.059999999999999998 110.876 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.524 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 -79.79 -14.97 58.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.505 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.75 -21.41 28.71 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' C' ' 64' ' ' GLY . 97.1 m-20 -95.27 -22.38 17.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.77 0.319 . . . . 0.0 110.458 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.51 77.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.411 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' C' ' 62' ' ' ASP . . . -72.79 148.62 41.9 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.14 116.74 12.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.576 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.49 -6.38 80.44 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' C' ' 68' ' ' MET . 68.9 mttm -100.7 147.5 25.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.619 0.247 . . . . 0.0 110.568 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 68' ' ' MET . . . . . 0.5 ' SD ' HD23 ' A' ' 72' ' ' LEU . 67.2 mtt -39.36 157.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.571 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.527 ' HG2' HG13 ' C' ' 70' ' ' VAL . 47.8 tttp -40.65 -97.95 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.527 HG13 ' HG2' ' C' ' 69' ' ' LYS . 22.6 m -85.63 -151.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.784 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.416 ' O ' HG23 ' C' ' 75' ' ' VAL . 21.3 p -135.02 174.71 10.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.485 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 42.3 tp -58.82 -46.72 86.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.697 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.415 ' CG1' HG21 ' C' ' 8' ' ' VAL . 55.0 t -63.15 -44.68 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 130.077 3.351 . . . . 0.0 110.558 -178.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.649 ' CD2' HE21 ' C' ' 55' ' ' GLN . 38.5 mt -63.24 -39.18 93.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.077 0.465 . . . . 0.11 111.087 177.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 71' ' ' SER . 45.7 t -59.83 -47.47 91.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.726 -0.67 . . . . 0.40000000000000002 110.221 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.512 ' CE1' HE22 ' B' ' 78' ' ' GLN . 46.8 t60 -59.38 -46.1 89.6 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.893 -0.323 . . . . 1.02 110.292 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.47 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -62.7 -43.48 98.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.851 0.358 . . . . 0.059999999999999998 110.421 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.05 -38.97 90.75 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.17 -0.468 . . . . 1.0900000000000001 110.238 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' C' ' 83' ' ' THR . 38.3 tp -56.85 -46.51 81.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.493 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.438 ' NE2' ' NE2' ' C' ' 76' ' ' HIS . 87.1 m-70 -67.0 -45.91 76.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.415 . . . . 0.080000000000000002 110.764 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.11 -45.94 92.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.83 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.68 -42.21 98.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.373 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' C' ' 79' ' ' LEU . 23.0 p -64.27 -46.85 81.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.175 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.8 m -61.65 -48.92 78.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.92 -48.6 79.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.502 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.99 -45.18 95.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.171 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.4 -48.12 81.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.962 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.1 -45.69 86.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.216 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.27 -44.01 97.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.13 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.16 -42.87 96.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.185 0.517 . . . . 0.0 110.015 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.647 HD12 ' HB1' ' C' ' 22' ' ' ALA . 75.0 mt -60.04 -42.14 88.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.385 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.47 -45.9 84.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.067 0.46 . . . . 0.0 109.936 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.63 -44.19 96.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.497 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.3 mt -58.88 -43.37 90.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.283 0.563 . . . . 0.0 109.524 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.41 -43.09 96.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.574 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.22 -40.62 90.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.08 0.466 . . . . 0.0 109.796 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 97' ' ' LEU . 81.0 mt -61.93 -41.75 98.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.905 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.0 m80 -59.58 -40.18 86.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.744 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.21 -40.71 97.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.045 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.19 -38.32 90.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.69 -41.74 95.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.35 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -80.66 141.78 34.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.47 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.551 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 121.866 0.841 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.81 143.03 36.66 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.27 38.45 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.992 -1.067 . . . . 0.0 109.593 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.06 149.15 28.51 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.19 152.28 18.98 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.062 -1.024 . . . . 0.0 108.425 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.8 144.29 19.31 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.58 136.59 36.89 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.12 0.962 . . . . 0.0 110.142 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.32 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.91 -4.27 19.32 Favored 'General case' 0 C--N 1.266 -3.052 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.816 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.44 141.75 85.9 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.664 -1.897 . . . . 0.0 110.666 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.42 -47.67 12.73 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 124.732 3.621 . . . . 0.0 114.223 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.532 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 97.6 m-20 -102.1 27.46 6.61 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 116.058 -2.257 . . . . 0.0 108.842 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.44 -126.4 27.78 Favored Glycine 0 N--CA 1.496 2.646 0 C-N-CA 117.713 -2.184 . . . . 0.0 109.595 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.57 78.0 1.81 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.95 -1.324 . . . . 0.0 109.563 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -84.52 176.84 8.37 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 117.851 -1.54 . . . . 0.0 112.095 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.522 ' OG1' ' O1 ' ' D' ' 200' ' ' PO3 . 77.1 p -23.34 -69.95 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.24 2.311 . . . . 0.0 117.24 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -45.73 -65.58 0.64 Allowed Pre-proline 0 N--CA 1.492 1.654 0 C-N-CA 120.193 -0.603 . . . . 0.0 112.514 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.57 -32.25 59.0 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.591 1.527 . . . . 0.0 111.501 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.474 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.9 86.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.227 -0.92 . . . . 0.0 109.471 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.85 -39.77 72.73 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.99 -39.35 93.93 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.906 -1.517 . . . . 0.0 109.47 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.66 -45.39 93.03 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 122.627 1.203 . . . . 0.0 108.648 -177.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.474 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.1 t -62.57 -42.29 95.34 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.222 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.681 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -63.81 -40.33 96.37 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.24 -0.912 . . . . 0.0 109.842 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.68 80.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.477 -0.765 . . . . 0.0 109.641 177.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.96 91.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.63 -1.294 . . . . 0.0 109.466 178.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.31 -16.28 44.18 Favored 'General case' 0 N--CA 1.51 2.565 0 O-C-N 121.303 -0.873 . . . . 0.0 113.251 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.56 86.13 Favored Glycine 0 N--CA 1.479 1.566 0 O-C-N 119.919 -1.738 . . . . 0.0 109.278 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.36 32.82 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.192 -1.77 . . . . 0.0 110.022 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.7 p -75.61 -30.06 59.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.259 -0.9 . . . . 0.0 112.31 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.88 158.55 10.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 119.778 -1.826 . . . . 0.0 112.802 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.92 130.26 35.41 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 102.853 -3.017 . . . . 0.0 102.853 171.292 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.58 60.4 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.373 0 CA-C-O 122.197 0.999 . . . . 0.0 109.281 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.87 143.22 50.95 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 123.009 1.385 . . . . 0.0 110.058 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.13 129.94 61.52 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.738 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 173.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.4 m -127.43 119.48 26.24 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.757 -1.214 . . . . 0.0 109.043 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.45 122.55 39.23 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.528 -0.733 . . . . 0.0 109.933 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.75 38.89 24.23 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.841 -1.162 . . . . 0.0 112.761 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.74 11.0 83.47 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 119.985 -1.697 . . . . 0.0 112.455 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.81 136.33 54.51 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 177.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.89 158.53 33.28 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-O 123.826 1.774 . . . . 0.0 112.433 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.65 151.36 31.38 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 112.515 -2.129 . . . . 0.0 108.599 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.58 135.96 48.87 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 173.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.9 -6.8 47.6 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.727 -1.233 . . . . 0.0 110.744 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.51 12.97 31.58 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.703 -1.248 . . . . 0.0 109.4 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.9 t -133.1 104.11 6.36 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.134 0.968 . . . . 0.0 110.128 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.22 -37.86 72.9 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.948 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -58.88 -51.42 70.11 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.558 -1.339 . . . . 0.0 113.045 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.49 70.66 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 119.526 -1.984 . . . . 0.0 109.149 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.61 75.57 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 118.877 -1.129 . . . . 0.0 109.997 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.524 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.73 -10.4 52.2 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.676 -0.64 . . . . 0.0 109.96 -177.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 38.1 p -89.8 -7.72 53.74 Favored 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 118.167 -1.413 . . . . 0.0 110.945 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.4 159.36 15.28 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.137 -0.977 . . . . 0.0 110.126 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.73 104.9 2.97 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 106.857 -2.497 . . . . 0.0 106.857 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 355' ' ' LEU . . . . . 0.436 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.5 mt -119.63 47.39 1.72 Allowed 'General case' 0 C--N 1.308 -1.211 0 O-C-N 120.668 -1.489 . . . . 0.0 107.409 -178.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.818 HG22 HG21 ' C' ' 56' ' ' THR . 2.4 p -81.41 172.56 13.39 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.814 -1.155 . . . . 0.0 109.192 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.79 140.9 57.45 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 119.341 -0.943 . . . . 0.0 109.79 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.52 -3.28 78.72 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 119.949 -1.119 . . . . 0.0 111.363 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.4 135.94 34.07 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.909 -1.348 . . . . 0.0 110.615 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.58 123.69 48.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.14 160.13 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 C-N-CA 117.322 -1.751 . . . . 0.0 110.665 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.89 128.34 54.83 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.56 -1.337 . . . . 0.0 107.609 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.9 121.39 60.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.25 50.71 Favored 'General case' 0 C--N 1.286 -2.179 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.46 47.22 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 118.497 -1.281 . . . . 0.0 109.747 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.84 6.44 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 118.529 -1.268 . . . . 0.0 108.031 178.151 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.23 -170.32 40.15 Favored Glycine 0 C--N 1.295 -1.706 0 C-N-CA 118.055 -2.021 . . . . 0.0 110.383 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.34 -40.72 82.89 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-N 114.414 -0.893 . . . . 0.0 112.158 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -113.97 36.76 3.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 118.967 -2.333 . . . . 0.0 108.544 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.32 -33.64 65.78 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -174.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.464 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.84 -45.64 27.74 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.54 -1.975 . . . . 0.0 110.95 -176.5 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.779 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.78 97.85 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.58 77.35 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.514 -1.675 . . . . 0.0 110.042 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.86 -42.27 88.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 CA-C-O 122.171 0.986 . . . . 0.0 109.183 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.88 -47.84 76.65 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-O 122.029 0.919 . . . . 0.0 108.774 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.779 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.81 -38.3 76.56 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.69 -178.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.7 mt -75.65 -28.63 58.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.369 -1.457 . . . . 0.0 110.836 -174.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.49 -39.49 70.89 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.454 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.22 63.06 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.19 -45.21 83.95 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.061 -1.056 . . . . 0.0 110.569 177.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.44 -37.3 85.33 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.876 -1.14 . . . . 0.0 111.536 -177.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.97 -31.77 61.54 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.031 -1.043 . . . . 0.0 110.191 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.88 -32.33 45.81 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.52 -0.737 . . . . 0.0 111.317 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -49.98 125.45 12.07 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 124.266 1.984 . . . . 0.0 112.874 178.686 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.816 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.3 tt0 . . . . . 0 C--N 1.277 -2.569 0 CA-C-N 111.153 -2.748 . . . . 0.0 110.121 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.627 ' O1 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.33 139.01 58.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.523 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' GLU . 78.8 mm-40 -61.68 136.81 58.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.495 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 8' ' ' VAL . 93.6 mt -37.73 -37.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -46.13 83.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.972 0.415 . . . . 1.9399999999999999 110.421 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 3' ' ' GLU . 78.9 mm-40 -68.67 -34.79 76.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.246 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.73 -42.85 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.389 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.625 HG21 HG13 ' A' ' 73' ' ' VAL . 75.2 t -61.43 -43.5 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.944 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.96 -42.31 89.58 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.52 -0.548 . . . . 0.17999999999999999 109.52 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -41.67 97.65 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -43.03 99.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.245 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.95 -43.88 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.20000000000000001 109.781 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.455 HD11 ' HB1' ' D' ' 320' ' ' ALA . 88.5 mt -64.08 -44.4 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.01 109.948 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.512 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 47.5 t-20 -60.92 -47.01 88.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.74 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.0 m -59.35 -43.43 92.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.043 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.414 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -63.54 -42.12 98.98 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -64.3 -44.55 91.3 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.31 77.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.851 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -60.41 -46.97 88.1 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -54.49 -43.73 72.03 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.19 -42.28 99.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.705 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.78 -49.74 76.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -60.03 -42.3 94.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.538 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.3 93.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.745 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.58 85.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.64 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -45.37 94.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.442 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.47 -42.15 73.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.32 -41.48 97.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.771 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.71 94.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.787 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.49 -29.22 69.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.182 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.45 -4.67 54.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.489 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.71 14.67 69.75 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.34 79.34 2.52 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.737 0.303 . . . . 0.0 110.304 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -64.28 -34.64 78.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.699 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.5 -49.07 76.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.062 0.458 . . . . 0.0 110.753 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.21 80.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.366 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.04 80.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.27 -42.28 99.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.525 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.64 98.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mmm -65.35 -40.8 94.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.498 ' O ' ' OG ' ' A' ' 44' ' ' SER . 91.1 mmm -63.01 -41.12 99.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.681 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.73 -43.35 99.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.013 0.435 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.06 -40.52 97.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.167 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.498 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.94 -45.57 93.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.549 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 70.8 ttt180 -60.07 -42.44 94.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.32 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 89.5 mmm -61.55 -42.72 99.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.235 0.54 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.95 95.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.215 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.37 -39.86 92.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.624 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' A' ' 49' ' ' ASN . 9.0 m120 -61.14 -41.53 96.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.266 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.56 -39.65 91.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.186 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.512 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -68.09 -45.26 74.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.481 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.14 -39.44 90.06 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.089999999999999997 110.385 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.4 mt -60.26 -44.17 95.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.358 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.8 -43.32 93.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.062 0.458 . . . . 0.0 110.031 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' NE2' HD23 ' A' ' 74' ' ' LEU . 67.6 tp60 -59.74 -43.96 94.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.314 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -56.44 -42.71 78.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.059999999999999998 110.062 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.58 -40.37 91.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.399 . . . . 0.0 110.52 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.47 HD22 HD22 ' A' ' 4' ' ' LEU . 97.1 mt -65.53 -37.8 87.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.642 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.2 mt -73.54 -37.07 49.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.050000000000000003 110.851 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -80.36 -14.85 58.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.37 -20.11 23.65 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -93.07 -25.69 17.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.802 0.334 . . . . 0.0 110.578 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.51 88.99 5.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.44 -177.53 37.17 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -72.37 117.92 14.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.704 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.76 1.19 89.2 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -102.8 147.69 26.55 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.782 0.325 . . . . 0.0 110.426 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.5 mtm -76.03 142.94 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -87.68 -8.55 55.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.17 115.67 38.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.755 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.9 p -128.65 161.22 30.16 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.588 ' HG ' HD21 ' B' ' 72' ' ' LEU . 20.8 mt -58.06 -45.77 86.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.625 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.625 HG13 HG21 ' A' ' 8' ' ' VAL . 76.4 t -64.89 -47.53 87.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.856 0.36 . . . . 0.0 110.503 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD23 ' NE2' ' A' ' 55' ' ' GLN . 87.6 mt -64.07 -43.02 96.7 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.027 0.441 . . . . 0.11 110.936 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 71' ' ' SER . 55.6 t -59.96 -46.85 93.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.802 -0.636 . . . . 0.38 110.167 -179.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.18 -46.32 90.11 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.272 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.41 96.34 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.772 0.32 . . . . 0.059999999999999998 110.658 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.04 -38.81 90.15 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.222 -0.444 . . . . 1.0900000000000001 110.175 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 83' ' ' THR . 42.8 tp -55.98 -46.82 78.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.378 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -67.24 -45.93 75.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.337 -0.392 . . . . 0.080000000000000002 110.74 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.22 -46.23 91.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.813 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.91 -43.08 99.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.176 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.3 p -63.78 -45.92 87.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.098 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.4 t -62.88 -48.94 76.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.458 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.673 ' CE ' HH12 ' B' ' 19' ' ' ARG . 51.6 ttp -57.92 -47.67 82.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.591 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.61 -44.71 96.49 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.088 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.51 -48.14 80.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 70.1 ttt-85 -58.85 -45.3 90.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.123 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 85' ' ' MET . 1.2 mp0 -60.69 -44.13 96.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.085 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.26 -42.58 96.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.192 0.52 . . . . 0.0 109.889 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 77.0 mt -59.93 -41.47 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.208 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.479 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 99.0 m -57.2 -45.93 83.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.066 0.46 . . . . 0.0 109.906 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.62 -43.49 96.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.612 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.7 mt -59.68 -43.98 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.37 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.54 -43.04 96.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.518 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.38 -40.16 89.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 97' ' ' LEU . 84.2 mt -62.74 -42.23 99.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.886 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.567 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -59.65 -40.34 87.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 102' ' ' LYS . 83.8 tt0 -62.49 -40.63 97.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.139 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.58 -38.69 91.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.32 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.35 -41.73 96.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.439 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 99' ' ' GLU . 64.8 mttp -91.89 141.82 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.5 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.551 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.03 138.95 58.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.552 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.2 mm-40 -61.79 136.94 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.458 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.579 ' O ' HG23 ' B' ' 8' ' ' VAL . 94.0 mt -37.75 -37.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.529 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.0 -46.18 82.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.946 0.403 . . . . 1.9399999999999999 110.32 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 3' ' ' GLU . 79.0 mm-40 -68.61 -34.72 76.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.211 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.1 t -63.99 -42.67 96.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.382 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.614 HG21 HG13 ' B' ' 73' ' ' VAL . 76.4 t -61.63 -43.23 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.933 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.12 -42.3 90.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.577 -0.527 . . . . 0.17999999999999999 109.577 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.01 -41.39 97.3 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.154 -1.179 . . . . 0.0 110.154 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.93 -42.94 99.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.01 -44.04 99.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.997 -0.547 . . . . 0.28999999999999998 109.693 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.93 -44.5 97.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.963 -0.562 . . . . 0.02 109.885 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 47.6 t-20 -60.9 -46.8 89.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.86 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.7 m -59.37 -43.53 92.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.109 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -42.03 99.13 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -64.39 -44.58 90.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.27 77.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.925 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.673 HH12 ' CE ' ' A' ' 85' ' ' MET . 73.1 ttt180 -60.5 -46.98 88.15 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.5 m -54.57 -43.46 72.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.32 -42.4 98.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.706 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -59.86 -49.83 76.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.86 -42.5 93.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.639 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.55 92.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.68 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -42.72 85.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.599 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.23 -45.62 93.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.286 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.42 -41.99 73.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.4 -41.41 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.872 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.83 94.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.78 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.46 -29.3 69.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.031 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.51 -4.46 53.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.373 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.42 14.67 70.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -98.16 79.46 2.58 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.755 0.312 . . . . 0.0 110.36 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -64.65 -34.55 78.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.567 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.96 77.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 0.0 110.762 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.16 -34.88 79.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.391 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.16 79.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.14 -42.65 99.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.549 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.61 99.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.697 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.66 -40.7 92.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.479 ' O ' ' OG ' ' B' ' 44' ' ' SER . 91.0 mmm -63.18 -41.02 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.554 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -62.84 -43.29 99.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -63.03 -40.74 98.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.247 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.1 p -61.69 -45.49 93.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.473 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -60.38 -42.22 95.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.323 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.57 -43.01 99.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.312 0.577 . . . . 0.0 110.647 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.02 95.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.166 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.19 -40.1 93.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.716 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -61.0 -41.72 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.285 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.37 -39.71 92.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.153 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.505 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.91 -45.72 73.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.482 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -60.56 -39.6 88.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.089999999999999997 110.28 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 53' ' ' LEU . 39.5 mt -60.3 -44.28 95.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.326 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.66 -43.57 93.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.016 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.403 ' NE2' HD23 ' B' ' 74' ' ' LEU . 67.3 tp60 -59.5 -44.09 93.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.313 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.9 m -56.18 -43.01 78.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.059999999999999998 110.026 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.68 -39.89 90.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.94 0.4 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' B' ' 4' ' ' LEU . 98.7 mt -65.86 -38.02 87.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.16 -37.07 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.038 -0.528 . . . . 0.040000000000000001 110.764 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -80.54 -15.22 57.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.554 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.75 -20.45 24.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -93.06 -25.5 17.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.563 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.91 89.52 5.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.411 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.59 -176.94 37.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -72.71 117.86 14.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.612 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.74 1.61 89.44 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -102.9 148.25 25.89 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.676 0.274 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.6 mtm -77.02 143.21 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.64 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -87.92 -7.94 56.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.762 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 48.4 t -99.69 115.25 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.579 ' O ' HG23 ' B' ' 75' ' ' VAL . 11.7 p -128.26 162.92 25.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.584 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.616 ' HG ' HD21 ' C' ' 72' ' ' LEU . 20.8 mt -60.16 -45.47 92.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.557 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.614 HG13 HG21 ' B' ' 8' ' ' VAL . 73.2 t -63.99 -47.01 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.612 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.403 HD23 ' NE2' ' B' ' 55' ' ' GLN . 87.6 mt -64.53 -42.35 95.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.096 0.474 . . . . 0.11 110.957 -178.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 71' ' ' SER . 55.5 t -60.3 -46.92 94.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.835 -0.62 . . . . 0.38 110.314 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -60.13 -46.59 89.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.883 -0.327 . . . . 1.1100000000000001 110.287 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.22 94.19 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.907 0.384 . . . . 0.059999999999999998 110.384 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.18 -39.04 88.66 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.2 -0.455 . . . . 1.0900000000000001 110.272 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 83' ' ' THR . 42.3 tp -55.96 -46.75 78.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.341 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -67.21 -46.0 75.16 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.8 -0.36 . . . . 0.080000000000000002 110.669 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.06 -46.33 91.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.909 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.93 -43.02 99.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.299 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.481 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.8 p -63.7 -45.98 87.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.152 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 37.7 t -62.39 -49.48 75.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.683 ' CE ' HH12 ' C' ' 19' ' ' ARG . 53.2 ttp -57.32 -48.14 79.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.494 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.33 -44.74 96.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.105 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.24 80.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -58.71 -44.94 90.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.482 ' OE1' ' O ' ' B' ' 85' ' ' MET . 1.2 mp0 -61.02 -44.16 97.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.162 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.26 -42.36 96.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 110.036 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.635 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 77.7 mt -59.9 -41.57 86.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.195 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.471 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 98.2 m -57.3 -45.68 83.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.07 0.462 . . . . 0.0 109.879 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.61 -43.9 95.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.485 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 87.5 mt -59.22 -44.43 92.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.38 -42.84 95.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.49 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.41 -40.66 91.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.3 -42.16 99.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.835 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.5 m80 -59.75 -40.52 88.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' B' ' 102' ' ' LYS . 83.6 tt0 -62.38 -40.6 96.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.118 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.71 -38.7 91.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.165 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.5 mt -64.35 -42.05 96.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.386 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' B' ' 99' ' ' GLU . 65.0 mttp -91.62 141.73 28.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.618 -179.894 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.85 139.0 58.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.638 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.2 mm-40 -61.8 136.99 58.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.385 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.586 ' O ' HG23 ' C' ' 8' ' ' VAL . 93.4 mt -37.75 -37.19 0.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.442 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.29 -46.02 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 1.9399999999999999 110.405 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' C' ' 3' ' ' GLU . 78.5 mm-40 -68.61 -34.41 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.349 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.11 -42.89 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.588 HG21 HG13 ' C' ' 73' ' ' VAL . 78.8 t -61.4 -43.2 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.997 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -59.4 -41.69 90.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.567 -0.531 . . . . 0.17999999999999999 109.567 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.23 -41.83 96.63 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.69 -42.9 99.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.421 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.86 -43.98 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.29999999999999999 109.713 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.1 -44.49 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 0.02 110.071 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.511 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 47.2 t-20 -60.79 -46.62 89.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.789 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 m -59.76 -43.56 94.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.223 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.36 -42.12 99.24 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.159 -1.177 . . . . 0.0 110.159 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -64.14 -45.0 90.41 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.56 -49.66 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.683 HH12 ' CE ' ' B' ' 85' ' ' MET . 73.7 ttt180 -60.0 -47.31 86.34 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -54.27 -43.62 71.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.29 -42.6 99.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.692 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.625 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.32 -49.98 75.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.91 -42.38 93.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.485 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.19 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.728 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.71 86.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.631 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.28 -45.41 94.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.478 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.76 -41.98 74.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.577 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.34 -41.39 96.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.898 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -42.65 93.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.773 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.69 -29.12 69.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.047 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.44 -4.81 55.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.45 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.8 14.7 69.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -98.32 79.44 2.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.73 0.3 . . . . 0.0 110.256 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -64.71 -34.5 78.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.585 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.87 77.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.962 0.41 . . . . 0.0 110.622 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.23 80.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.381 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.76 -48.3 79.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.451 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.12 -42.58 99.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.583 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.8 99.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.756 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.9 mmm -65.55 -40.67 93.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 0.0 110.588 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.495 ' O ' ' OG ' ' C' ' 44' ' ' SER . 91.4 mmm -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.613 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.61 -43.52 98.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.402 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.96 -40.54 97.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.495 ' OG ' ' O ' ' C' ' 41' ' ' MET . 80.3 p -61.86 -45.47 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.34 -42.03 94.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.399 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 89.0 mmm -61.91 -42.65 99.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.382 0.61 . . . . 0.0 110.521 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.21 95.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.351 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.15 -40.04 93.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.781 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.06 -41.35 96.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.359 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.44 -40.26 93.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.095 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.511 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.64 -45.26 75.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.41 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.525 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.2 t60 -60.96 -39.6 90.14 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.02 -0.537 . . . . 0.089999999999999997 110.342 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.47 -44.08 96.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.311 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.76 -43.52 93.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.922 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.411 ' NE2' HD23 ' C' ' 74' ' ' LEU . 67.2 tp60 -59.45 -44.33 92.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.259 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.975 HG21 HG22 ' D' ' 356' ' ' THR . 19.4 m -56.25 -42.8 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.386 . . . . 0.059999999999999998 110.108 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.81 -39.73 90.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.359 . . . . 0.0 110.49 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' C' ' 4' ' ' LEU . 98.7 mt -65.72 -38.1 88.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.772 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.14 -37.31 52.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.047 -0.524 . . . . 0.059999999999999998 110.82 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.552 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.8 mm-40 -80.25 -15.01 57.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.462 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.93 -20.63 23.27 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -93.0 -25.46 17.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.499 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.89 89.81 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.91 -176.87 36.59 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -72.52 117.71 14.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.595 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.85 1.39 89.57 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.75 148.12 25.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.617 0.246 . . . . 0.0 110.545 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.5 mtm -76.81 143.53 39.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -88.26 -7.75 56.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 48.2 t -99.44 115.08 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.722 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.602 ' O ' HG23 ' C' ' 75' ' ' VAL . 12.6 p -127.18 165.37 19.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.534 -179.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.616 HD21 ' HG ' ' B' ' 72' ' ' LEU . 14.3 mt -62.03 -44.38 96.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.682 -177.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.588 HG13 HG21 ' C' ' 8' ' ' VAL . 67.8 t -65.58 -47.33 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 130.066 3.346 . . . . 0.0 110.64 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.411 HD23 ' NE2' ' C' ' 55' ' ' GLN . 89.0 mt -66.67 -42.05 87.16 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.193 -0.458 . . . . 0.11 110.969 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.602 HG23 ' O ' ' C' ' 71' ' ' SER . 54.3 t -60.76 -47.31 93.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.778 -0.647 . . . . 0.40000000000000002 110.272 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -60.11 -46.74 88.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.868 -0.333 . . . . 1.02 110.304 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -45.18 94.38 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.916 0.389 . . . . 0.059999999999999998 110.413 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -61.13 -39.06 88.61 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.201 -0.454 . . . . 1.0900000000000001 110.281 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.473 ' O ' HG23 ' C' ' 83' ' ' THR . 41.4 tp -55.76 -46.85 77.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -67.32 -45.5 76.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.31 -0.405 . . . . 0.080000000000000002 110.701 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.68 -46.05 91.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.875 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.85 -43.15 99.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.332 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.473 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.6 p -63.89 -45.39 89.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.162 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 38.6 t -63.28 -48.79 76.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 85' ' ' MET . . . . . 0.495 ' O ' ' OE1' ' C' ' 89' ' ' GLU . 53.5 ttp -57.9 -47.97 81.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.527 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.48 -44.69 96.64 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.63 78.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.016 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -58.42 -45.17 88.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.224 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 89' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' C' ' 85' ' ' MET . 1.2 mp0 -60.73 -44.29 96.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.126 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.39 -42.39 96.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.23 0.538 . . . . 0.0 110.029 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.625 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 76.2 mt -59.78 -41.63 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.374 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.485 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 97.8 m -57.18 -45.63 83.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.08 0.467 . . . . 0.0 109.981 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.71 -43.61 96.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.48 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.7 mt -59.6 -44.12 93.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.45 -43.08 96.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.531 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.9 -40.9 90.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.722 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.04 -42.74 99.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.91 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.9 m80 -59.27 -40.62 86.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.735 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.5 tt0 -62.3 -40.85 97.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.068 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.34 -38.66 91.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.229 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.33 -42.36 96.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.339 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.7 mttp -91.32 141.81 28.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.361 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.461 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.535 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.695 0 CA-C-O 121.846 0.831 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.1 t80 -139.77 142.99 36.71 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.92 156.33 38.71 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.0 -1.063 . . . . 0.0 109.548 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.2 149.19 28.46 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.33 18.93 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.047 -1.033 . . . . 0.0 108.395 178.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.89 144.31 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.73 136.57 37.07 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.162 0.982 . . . . 0.0 110.122 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.88 114.31 24.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.85 -4.32 19.37 Favored 'General case' 0 C--N 1.264 -3.134 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.815 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.82 85.75 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 119.726 -1.859 . . . . 0.0 110.654 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.49 -47.69 12.83 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 124.802 3.668 . . . . 0.0 114.141 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.525 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 95.2 m-20 -102.17 27.61 6.53 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 116.043 -2.263 . . . . 0.0 108.745 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 313' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' D' ' 310' ' ' ALA . . . 71.5 -95.18 0.6 Allowed Glycine 0 N--CA 1.497 2.732 0 C-N-CA 117.685 -2.198 . . . . 0.0 109.55 -175.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.524 ' CD1' ' O ' ' D' ' 314' ' ' LEU . 0.8 OUTLIER -170.0 57.2 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.865 -1.374 . . . . 0.0 109.521 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.457 ' O ' ' O ' ' D' ' 314' ' ' LEU . 0.4 OUTLIER -52.05 -174.89 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 117.877 -1.529 . . . . 0.0 112.13 -178.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.483 ' OG1' ' O2 ' ' D' ' 200' ' ' PO3 . 12.3 p -28.84 -66.78 0.08 Allowed 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -176.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' D' ' 316' ' ' THR . 37.9 ttt-85 -42.67 -66.97 0.37 Allowed Pre-proline 0 N--CA 1.493 1.718 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.495 -177.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.37 -32.17 61.24 Favored 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.568 1.512 . . . . 0.0 111.534 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.478 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.02 -38.87 86.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.254 -0.903 . . . . 0.0 109.451 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.85 -39.73 72.75 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.97 -39.37 93.97 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 118.024 -1.471 . . . . 0.0 109.503 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.67 -45.34 93.23 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 122.593 1.187 . . . . 0.0 108.705 -177.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.478 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.6 t -62.63 -42.24 95.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.276 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.726 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.404 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 60.0 mttm -63.83 -40.24 96.12 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.323 -0.861 . . . . 0.0 109.811 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.528 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.75 80.0 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.473 -0.767 . . . . 0.0 109.578 177.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.04 91.76 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.575 -1.328 . . . . 0.0 109.426 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.23 -16.29 43.56 Favored 'General case' 0 N--CA 1.511 2.577 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.51 86.1 Favored Glycine 0 N--CA 1.479 1.543 0 O-C-N 119.905 -1.747 . . . . 0.0 109.318 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.25 32.97 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.242 -1.74 . . . . 0.0 110.013 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.53 -30.17 59.68 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.193 -0.942 . . . . 0.0 112.285 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.66 158.52 9.97 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 119.742 -1.849 . . . . 0.0 112.81 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.19 35.3 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 102.85 -3.018 . . . . 0.0 102.85 171.224 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.67 136.61 60.31 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 CA-C-O 122.185 0.993 . . . . 0.0 109.325 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.96 143.17 51.02 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 123.137 1.446 . . . . 0.0 109.991 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.2 t -108.01 129.99 61.26 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 N-CA-C 105.507 -2.034 . . . . 0.0 105.507 173.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.52 119.6 26.41 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.838 -1.164 . . . . 0.0 108.927 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.57 122.57 39.18 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.921 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.86 38.86 24.53 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.899 -1.126 . . . . 0.0 112.762 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 11.02 83.55 Favored Glycine 0 N--CA 1.503 3.106 0 O-C-N 119.95 -1.719 . . . . 0.0 112.534 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.27 54.54 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.79 158.57 33.02 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-O 123.802 1.763 . . . . 0.0 112.448 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.4 31.39 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.442 -2.163 . . . . 0.0 108.581 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.61 136.08 48.91 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.07 -6.76 47.7 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 120.751 -1.218 . . . . 0.0 110.691 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.48 12.9 31.76 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.59 -1.319 . . . . 0.0 109.406 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.0 t -133.01 104.19 6.42 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.158 0.98 . . . . 0.0 110.106 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.22 -37.89 72.92 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.007 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -58.92 -51.3 70.65 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.549 -1.345 . . . . 0.0 113.05 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.45 70.48 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.588 -1.945 . . . . 0.0 109.199 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 mt -62.72 -33.81 75.87 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.965 -1.094 . . . . 0.0 109.902 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.552 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.72 -10.32 51.49 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.636 -0.665 . . . . 0.0 109.973 -177.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.3 p -89.84 -7.69 53.73 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 118.052 -1.459 . . . . 0.0 110.961 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.33 159.36 15.3 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.248 -0.907 . . . . 0.0 110.197 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.82 2.97 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 106.897 -2.481 . . . . 0.0 106.897 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 355' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' D' ' 361' ' ' VAL . 78.1 mt -119.59 47.44 1.71 Allowed 'General case' 0 C--N 1.309 -1.18 0 O-C-N 120.726 -1.456 . . . . 0.0 107.431 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.975 HG22 HG21 ' C' ' 56' ' ' THR . 5.0 p -81.49 172.48 13.46 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.196 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.62 140.91 57.23 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.851 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.22 79.01 Favored Glycine 0 N--CA 1.5 2.931 0 C-N-CA 120.029 -1.082 . . . . 0.0 111.35 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.45 135.95 34.05 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.917 -1.343 . . . . 0.0 110.601 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.3 t -96.49 123.72 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.3 m -112.22 160.11 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 117.328 -1.749 . . . . 0.0 110.578 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.3 m -108.89 128.38 54.87 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.536 -1.352 . . . . 0.0 107.646 175.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.83 121.36 60.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 176.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.21 50.7 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.63 153.4 47.32 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.828 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.85 6.44 Favored 'General case' 0 C--N 1.288 -2.093 0 C-N-CA 118.561 -1.255 . . . . 0.0 107.994 178.173 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.37 40.14 Favored Glycine 0 C--N 1.296 -1.658 0 C-N-CA 117.955 -2.069 . . . . 0.0 110.362 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.29 -40.7 82.62 Favored 'General case' 0 C--N 1.274 -2.675 0 CA-C-N 114.381 -0.909 . . . . 0.0 112.16 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.7 3.57 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 115.864 -2.334 . . . . 0.0 108.59 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.45 65.71 Favored 'General case' 0 N--CA 1.522 3.138 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -174.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.472 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.69 26.86 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 119.619 -1.925 . . . . 0.0 110.926 -176.59 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.78 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.47 -40.77 98.01 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 106.978 -1.489 . . . . 0.0 106.978 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.55 77.45 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 117.478 -1.689 . . . . 0.0 110.054 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.84 -42.15 88.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-O 122.172 0.987 . . . . 0.0 109.295 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.89 -47.93 76.52 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-O 122.097 0.951 . . . . 0.0 108.708 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.78 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.85 -38.27 76.41 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.684 -178.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.437 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.69 -28.57 58.7 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.331 -1.481 . . . . 0.0 110.839 -174.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.52 71.08 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.22 63.04 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.528 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.24 -45.26 84.09 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 119.044 -1.062 . . . . 0.0 110.485 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.34 -37.38 85.44 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.924 -1.11 . . . . 0.0 111.558 -177.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.66 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.132 -0.98 . . . . 0.0 110.275 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.88 -32.24 45.82 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.575 -0.703 . . . . 0.0 111.354 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.14 125.5 12.44 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 124.302 2.001 . . . . 0.0 112.843 178.705 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.815 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.4 mm-40 . . . . . 0 C--N 1.277 -2.557 0 CA-C-N 111.055 -2.793 . . . . 0.0 110.15 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.483 ' O2 ' ' OG1' ' D' ' 316' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -71.49 151.35 43.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.486 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.6 mt-10 -62.31 -70.14 0.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.475 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.5 mt -37.6 -38.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.441 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.36 -46.33 80.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.919 0.39 . . . . 1.9399999999999999 110.276 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' GLU . 79.5 mm-40 -67.72 -37.08 81.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.276 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.5 -42.3 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.427 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 4' ' ' LEU . 73.0 t -60.49 -44.34 96.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.912 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.7 mtp -58.94 -42.42 89.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.514 -0.55 . . . . 0.17999999999999999 109.514 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.21 -41.98 98.11 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.2 -43.33 98.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.14 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.16 -44.43 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.20000000000000001 109.733 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.75 -43.93 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.01 109.955 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -61.49 -46.28 90.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.786 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -61.05 -43.56 98.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.951 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.578 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -64.02 -44.82 95.34 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.134 -1.187 . . . . 0.0 110.134 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -63.51 -44.25 94.86 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.1 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.868 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.52 -46.74 87.98 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.8 m -55.13 -44.74 75.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.72 -42.81 97.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.724 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.539 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.21 -51.37 70.27 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.52 -41.29 89.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.587 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.85 89.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.775 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.69 88.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.671 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.12 -45.1 96.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.477 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.56 -42.34 74.53 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.74 -40.9 94.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.823 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.45 94.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.689 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.6 -28.7 69.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.187 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.9 -4.67 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.447 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.51 59.93 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -102.32 77.93 1.7 Allowed 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.75 0.31 . . . . 0.0 110.246 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CE1' ' OE1' ' A' ' 99' ' ' GLU . 91.7 m-85 -65.21 -33.79 76.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.652 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.02 -48.34 79.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.115 0.483 . . . . 0.0 110.745 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.31 80.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.369 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.25 77.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.606 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.21 -43.83 98.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.63 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.65 98.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.821 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.1 mtt -65.4 -40.3 93.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.455 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.454 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 89.3 mmm -63.62 -41.4 98.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.59 -45.24 93.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.032 0.444 . . . . 0.0 110.555 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.9 -41.5 97.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.247 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 m -61.4 -45.37 94.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' HA ' HH11 ' A' ' 88' ' ' ARG . 70.9 ttt180 -60.82 -42.74 98.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.306 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.77 -44.22 97.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.209 0.528 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.616 HD21 ' OG ' ' A' ' 84' ' ' SER . 11.9 mt -66.0 -39.97 90.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.758 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.16 -42.71 95.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.267 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.74 -39.26 93.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.198 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -44.25 77.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.462 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -62.08 -38.83 90.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.089999999999999997 110.363 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.6 mt -60.65 -44.23 96.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.347 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.16 -43.3 95.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 0.0 110.013 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -60.13 -43.34 95.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.221 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.6 m -57.03 -42.84 81.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.059999999999999998 109.979 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.6 -39.41 93.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.956 0.408 . . . . 0.0 110.56 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.531 HD22 ' CD2' ' A' ' 4' ' ' LEU . 97.8 mt -62.97 -28.28 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.687 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -89.87 -31.17 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.050000000000000003 110.8 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' A' ' 61' ' ' GLY . 80.4 mm-40 -81.69 -7.0 59.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.601 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 60' ' ' GLU . . . -48.85 -174.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -88.42 107.87 19.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.581 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.64 144.49 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.48 164.06 48.58 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.71 117.06 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 110.715 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.53 7.74 88.27 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -97.85 147.8 24.06 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.629 0.252 . . . . 0.0 110.451 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.8 mtt -76.53 152.43 36.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -77.05 -6.65 53.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.949 0.404 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 m -107.9 131.41 58.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.726 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 p -130.16 162.86 27.9 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.06 -42.02 84.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.596 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.617 HG13 HG21 ' A' ' 8' ' ' VAL . 67.1 t -64.4 -46.53 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.896 0.379 . . . . 0.0 110.551 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.09 -42.42 96.94 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.996 0.427 . . . . 0.11 110.879 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.93 -47.08 93.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.793 -0.64 . . . . 0.38 110.233 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -60.15 -45.26 93.67 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.29 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.81 89.87 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.772 0.32 . . . . 0.059999999999999998 110.6 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -61.97 -39.91 93.78 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 116.179 -0.464 . . . . 1.0900000000000001 110.17 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.718 HD21 ' SD ' ' C' ' 82' ' ' MET . 40.8 tp -56.22 -46.54 79.48 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.375 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.604 ' NE2' ' O3 ' ' D' ' 200' ' ' PO3 . 73.8 m-70 -67.68 -46.17 73.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.296 -0.411 . . . . 0.080000000000000002 110.723 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.06 -46.56 88.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.782 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.5 ' SD ' HD21 ' B' ' 79' ' ' LEU . 80.7 mtp -61.07 -43.91 98.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.195 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.7 p -61.27 -44.45 97.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.109 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.616 ' OG ' HD21 ' A' ' 48' ' ' LEU . 45.0 t -62.76 -47.75 82.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.452 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.21 -48.11 79.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.449 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.04 -44.15 97.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.924 0.392 . . . . 0.0 110.16 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -46.2 89.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.819 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.424 HH11 ' HA ' ' A' ' 45' ' ' ARG . 55.2 ttp180 -58.48 -46.69 86.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.141 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.74 -43.56 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.017 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.55 -43.38 94.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.197 0.522 . . . . 0.0 109.96 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.539 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 77.6 mt -61.04 -42.92 94.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.318 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.454 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 20.0 m -57.03 -46.11 82.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.433 . . . . 0.0 109.85 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.545 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.4 mt-10 -63.38 -42.66 98.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.537 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.2 mt -60.05 -42.78 95.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.57 -42.79 92.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.552 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.572 ' OE1' ' NZ ' ' B' ' 30' ' ' LYS . 85.2 tt0 -63.24 -37.62 87.95 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.8 mt -63.38 -41.45 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.901 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -60.4 -39.3 86.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.563 ' OE1' ' CE1' ' A' ' 34' ' ' PHE . 50.7 tp10 -59.56 -39.16 83.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.167 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.02 -35.38 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.189 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.97 -2.55 51.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.406 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.1 mttp 56.83 24.96 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.508 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.872 -1.061 . . . . 0.0 110.556 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.83 151.04 43.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.555 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.5 mt-10 -61.93 -70.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.484 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.7 mt -37.54 -38.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.32 -46.44 80.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 1.9399999999999999 110.292 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' B' ' 3' ' ' GLU . 79.6 mm-40 -67.6 -36.98 81.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.18 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.412 HG11 HD11 ' B' ' 58' ' ' LEU . 79.6 t -63.53 -42.58 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 4' ' ' LEU . 69.2 t -60.31 -44.29 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.873 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.7 mtp -59.19 -42.08 90.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.561 -0.533 . . . . 0.17999999999999999 109.561 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.52 -41.84 97.75 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.4 -43.02 98.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.737 0.303 . . . . 0.0 110.302 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.64 -44.23 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.28999999999999998 109.672 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.67 -44.15 98.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.02 109.921 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.22 -46.24 91.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.808 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -61.31 -43.59 98.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.109 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.87 -44.48 96.05 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -63.79 -44.49 93.21 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.13 74.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.955 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.35 -46.68 87.94 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -55.29 -44.59 75.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.87 -42.94 97.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.664 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.537 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -59.07 -51.37 70.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.4 -41.35 89.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.701 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.4 89.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.782 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.47 86.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.619 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.67 -44.84 96.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.327 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.87 -42.0 75.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.75 -41.25 95.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.857 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.59 93.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.673 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' OE1' ' A' ' 96' ' ' GLU . 68.0 mttm -61.51 -28.96 69.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.047 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -81.79 -4.77 57.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.98 17.31 59.68 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -102.43 77.62 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 0.0 110.257 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.57 ' CE1' ' OE1' ' B' ' 99' ' ' GLU . 91.9 m-85 -64.92 -34.05 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.77 77.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.012 0.434 . . . . 0.0 110.766 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.21 80.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.455 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.19 77.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.502 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.48 -43.86 98.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.556 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.03 97.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.17 -40.49 94.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.448 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 89.8 mmm -63.45 -41.55 98.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.584 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.44 -45.4 93.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.481 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.81 -41.18 97.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.293 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -61.95 -45.24 94.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.491 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.427 ' HA ' HH11 ' B' ' 88' ' ' ARG . 70.3 ttt180 -60.72 -42.8 97.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.247 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 66.2 ttp -60.63 -44.35 96.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.312 0.577 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.41 98.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.129 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.609 HD21 ' OG ' ' B' ' 84' ' ' SER . 11.8 mt -65.91 -39.97 91.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.745 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.22 -42.72 95.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.38 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.55 -39.38 93.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.191 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.37 78.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.462 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -62.2 -38.68 90.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.089999999999999997 110.253 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.82 -44.05 97.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.398 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.23 -43.32 95.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.958 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.07 -43.52 95.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 99.6 m -56.98 -42.8 80.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.059999999999999998 109.991 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -39.24 93.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.535 HD22 ' CD2' ' B' ' 4' ' ' LEU . 97.4 mt -63.12 -28.11 69.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.739 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -89.71 -31.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 0.040000000000000001 110.721 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' B' ' 61' ' ' GLY . 80.5 mm-40 -81.56 -7.28 59.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' B' ' 60' ' ' GLU . . . -48.09 -174.31 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -88.52 107.89 19.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.334 . . . . 0.0 110.565 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.55 144.61 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.424 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.69 163.98 49.31 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.55 116.79 12.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.763 0.316 . . . . 0.0 110.717 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.06 7.59 88.39 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -97.84 148.0 23.85 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.634 0.255 . . . . 0.0 110.521 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 66.5 mtt -76.71 152.87 35.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.643 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -77.48 -6.08 52.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 m -108.98 131.04 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.777 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.402 ' O ' HG23 ' B' ' 75' ' ' VAL . 19.1 p -129.68 164.5 23.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.489 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.42 -41.62 94.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.626 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.61 HG13 HG21 ' B' ' 8' ' ' VAL . 60.5 t -63.47 -45.46 97.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.608 -178.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.98 -41.67 95.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.11 110.962 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 71' ' ' SER . 53.7 t -60.2 -47.27 92.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.843 -0.617 . . . . 0.38 110.296 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -59.92 -45.76 91.55 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.838 -0.345 . . . . 1.1100000000000001 110.325 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.89 92.02 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.895 0.378 . . . . 0.059999999999999998 110.41 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -62.24 -40.45 96.21 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.12 -0.491 . . . . 1.0900000000000001 110.271 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.528 ' O ' HG23 ' B' ' 83' ' ' THR . 40.7 tp -55.61 -46.55 77.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.336 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -67.69 -46.4 72.39 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.763 -0.375 . . . . 0.080000000000000002 110.705 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.77 -46.78 88.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.797 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' MET . . . . . 0.484 ' SD ' HD21 ' C' ' 79' ' ' LEU . 80.4 mtp -60.91 -44.03 97.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.227 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.528 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.1 p -61.16 -44.11 97.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.152 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.609 ' OG ' HD21 ' B' ' 48' ' ' LEU . 43.8 t -63.15 -47.33 83.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.645 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.6 -47.92 80.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.522 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.02 -44.25 97.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 110.111 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.54 88.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.9 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' B' ' 45' ' ' ARG . 55.1 ttp180 -58.22 -47.1 84.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.208 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.25 -43.43 98.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.177 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.75 -43.33 93.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.135 0.493 . . . . 0.0 110.057 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.537 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 76.7 mt -60.96 -42.84 94.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.174 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.448 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 19.5 m -57.28 -46.13 83.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.072 0.463 . . . . 0.0 109.842 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.2 mt-10 -63.19 -43.02 99.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.513 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.545 HD13 ' OE1' ' A' ' 93' ' ' GLU . 77.0 mt -59.58 -43.05 93.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.45 -43.12 93.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.494 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' C' ' 30' ' ' LYS . 84.9 tt0 -62.78 -38.16 89.52 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' B' ' 97' ' ' LEU . 34.5 mt -62.86 -41.72 99.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.769 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -60.08 -39.69 86.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.57 ' OE1' ' CE1' ' B' ' 34' ' ' PHE . 50.9 tp10 -59.34 -39.11 82.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.088 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.14 -35.32 80.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.141 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.5 -3.08 52.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.386 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.1 mttp 56.83 25.29 10.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.549 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -71.69 151.42 43.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.7 mt-10 -62.16 -70.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.343 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.67 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.5 mt -37.72 -38.49 0.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.407 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.45 -46.31 80.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 1.9399999999999999 110.376 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' C' ' 3' ' ' GLU . 79.5 mm-40 -67.68 -37.27 82.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.342 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.403 HG11 HD11 ' C' ' 58' ' ' LEU . 79.1 t -62.89 -42.92 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.67 HG23 ' O ' ' C' ' 4' ' ' LEU . 69.5 t -60.02 -44.35 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.019 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -59.34 -41.62 89.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.608 -0.515 . . . . 0.17999999999999999 109.608 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -42.18 97.42 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.88 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.325 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.08 -44.55 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.29999999999999999 109.75 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.66 -43.95 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.969 -0.56 . . . . 0.02 110.08 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.44 -45.85 92.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.798 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -61.61 -43.7 98.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.139 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.87 -44.27 96.36 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.79 -43.97 94.77 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.91 75.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.765 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -59.84 -46.44 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -55.43 -44.6 76.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.71 -43.09 97.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.723 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.54 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.01 -51.4 70.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.41 -41.6 89.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.562 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.28 88.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 -42.66 86.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.567 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.32 -45.21 95.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.392 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.52 -42.37 74.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.88 -40.66 93.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.937 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.6 94.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.783 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' B' ' 96' ' ' GLU . 68.0 mttm -61.75 -28.95 69.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.074 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -81.32 -4.95 57.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.517 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.85 17.5 59.61 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -102.3 78.17 1.72 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.725 0.298 . . . . 0.0 110.211 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.564 ' CE1' ' OE1' ' C' ' 99' ' ' GLU . 91.1 m-85 -65.58 -33.84 76.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.509 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.22 79.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.042 0.449 . . . . 0.0 110.744 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.38 80.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.36 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.19 -48.06 77.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.473 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.41 -43.71 98.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.617 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.96 97.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.776 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.5 mtt -65.06 -40.38 94.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.465 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 89.8 mmm -63.72 -41.44 98.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.66 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.45 -45.42 93.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.368 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.0 -40.89 97.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.3 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 63.4 m -61.86 -45.49 93.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.427 ' HA ' HH11 ' C' ' 88' ' ' ARG . 70.6 ttt180 -60.57 -42.91 97.59 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.32 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.69 -44.09 96.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.308 0.575 . . . . 0.0 110.527 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.02 97.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.304 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.612 HD21 ' OG ' ' C' ' 84' ' ' SER . 11.8 mt -65.66 -39.87 91.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.34 -42.69 96.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.269 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.49 -39.57 94.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.004 0.43 . . . . 0.0 110.004 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -44.39 77.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.421 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -61.82 -38.76 89.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.089999999999999997 110.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 53' ' ' LEU . 43.5 mt -61.22 -43.59 98.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.314 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.64 -43.03 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.922 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -60.21 -43.7 95.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.233 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 56' ' ' THR . . . . . 1.027 HG21 HG22 ' D' ' 356' ' ' THR . 99.1 m -56.96 -42.84 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.059999999999999998 110.174 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.58 -39.1 92.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 110.506 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.529 HD22 ' CD2' ' C' ' 4' ' ' LEU . 97.6 mt -62.95 -28.36 70.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.811 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -89.7 -31.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.977 -0.556 . . . . 0.059999999999999998 110.831 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.539 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 -81.66 -7.05 59.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.505 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 61' ' ' GLY . . . . . 0.503 ' O ' ' O ' ' C' ' 60' ' ' GLU . . . -48.4 -174.05 0.01 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -88.74 108.01 19.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.497 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.62 144.21 51.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.32 164.37 47.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.88 116.82 12.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.771 0.32 . . . . 0.0 110.624 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.03 7.52 88.44 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -97.58 148.37 23.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.662 0.267 . . . . 0.0 110.629 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -77.1 153.06 34.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -77.69 -5.94 52.22 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.7 m -108.81 130.54 61.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.724 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.418 ' O ' HG23 ' C' ' 75' ' ' VAL . 18.0 p -128.31 166.89 17.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.557 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 72' ' ' LEU . 74.9 mt -62.26 -41.34 98.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.67 -177.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.56 HG13 HG21 ' C' ' 8' ' ' VAL . 59.3 t -64.29 -46.35 93.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 130.153 3.381 . . . . 0.0 110.627 -178.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.52 -41.72 88.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.222 -0.444 . . . . 0.11 111.004 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.418 HG23 ' O ' ' C' ' 71' ' ' SER . 54.7 t -60.11 -48.09 89.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.821 -0.627 . . . . 0.40000000000000002 110.255 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -59.74 -45.55 91.86 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.914 -0.314 . . . . 1.02 110.268 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.58 91.41 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.934 0.397 . . . . 0.059999999999999998 110.412 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -62.4 -39.79 94.4 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.243 -0.435 . . . . 1.0900000000000001 110.244 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.526 ' O ' HG23 ' C' ' 83' ' ' THR . 40.6 tp -56.26 -46.67 79.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.426 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' C' ' 83' ' ' THR . 74.7 m-70 -67.63 -46.34 72.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.325 -0.398 . . . . 0.080000000000000002 110.64 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.81 -46.57 88.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.796 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 82' ' ' MET . . . . . 0.718 ' SD ' HD21 ' A' ' 79' ' ' LEU . 80.1 mtp -61.15 -43.63 98.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.526 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.2 p -61.58 -43.94 97.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.192 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 84' ' ' SER . . . . . 0.612 ' OG ' HD21 ' C' ' 48' ' ' LEU . 40.5 t -63.31 -47.36 82.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -57.39 -48.09 79.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.504 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.14 -44.32 97.52 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.148 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.62 87.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.01 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' C' ' 45' ' ' ARG . 55.3 ttp180 -58.02 -47.47 82.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.248 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.8 -43.64 97.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.156 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.69 -43.67 92.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.158 0.504 . . . . 0.0 109.98 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.54 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 76.8 mt -60.52 -42.86 92.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.423 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.465 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 19.4 m -57.32 -45.95 83.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.024 0.44 . . . . 0.0 109.963 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.47 -42.96 98.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.521 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' B' ' 93' ' ' GLU . 75.8 mt -59.44 -43.02 93.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.4 -43.37 93.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.588 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.42 -38.19 88.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.713 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.79 -41.86 99.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.879 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -59.82 -39.75 86.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.711 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.564 ' OE1' ' CE1' ' C' ' 34' ' ' PHE . 50.6 tp10 -59.5 -39.15 82.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.094 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.97 -35.2 79.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.245 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 88.9 mt -81.88 -3.15 53.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 57.26 24.97 10.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.564 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.66 0 CA-C-O 121.908 0.861 . . . . 0.0 108.944 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.74 143.04 36.8 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.31 38.51 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.96 -1.088 . . . . 0.0 109.537 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.18 28.52 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.4 18.89 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.999 -1.063 . . . . 0.0 108.396 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.89 144.35 19.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.7 136.61 36.98 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.126 0.965 . . . . 0.0 110.116 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.97 114.33 24.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.92 -4.28 19.31 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.821 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.87 85.85 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.644 -1.91 . . . . 0.0 110.579 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.51 -47.69 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 124.812 3.674 . . . . 0.0 114.137 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -102.18 27.62 6.52 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 116.039 -2.265 . . . . 0.0 108.775 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.82 -123.11 21.44 Favored Glycine 0 N--CA 1.496 2.681 0 C-N-CA 117.638 -2.22 . . . . 0.0 109.63 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.16 80.94 1.91 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.914 -1.345 . . . . 0.0 109.485 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.409 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.3 OUTLIER -88.06 175.61 7.67 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 117.88 -1.528 . . . . 0.0 112.071 -179.353 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 11.4 p -22.04 -66.51 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.578 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 9.3 ttt-85 -48.52 -65.68 0.73 Allowed Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 120.139 -0.625 . . . . 0.0 112.493 -177.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.8 Cg_endo -64.78 -32.21 56.66 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 121.26 1.306 . . . . 0.0 111.513 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.507 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.8 86.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.233 -0.917 . . . . 0.0 109.518 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.82 72.58 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -63.93 -39.45 94.19 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.026 -1.47 . . . . 0.0 109.441 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.62 -45.39 93.06 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.627 1.203 . . . . 0.0 108.7 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.507 HG23 ' O ' ' D' ' 319' ' ' ALA . 62.7 t -62.54 -42.37 95.6 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.32 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.609 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -63.75 -40.41 96.64 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.247 -0.908 . . . . 0.0 109.796 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.68 -39.77 80.42 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.464 -0.773 . . . . 0.0 109.597 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.99 -44.09 91.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.655 -1.278 . . . . 0.0 109.392 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.25 -16.27 43.62 Favored 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.63 86.03 Favored Glycine 0 N--CA 1.478 1.491 0 O-C-N 119.939 -1.726 . . . . 0.0 109.338 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.45 143.35 32.82 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.262 -1.728 . . . . 0.0 110.046 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.6 p -75.53 -30.07 59.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.178 -0.951 . . . . 0.0 112.394 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.73 158.6 10.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 119.855 -1.778 . . . . 0.0 112.761 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.27 35.34 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 102.782 -3.044 . . . . 0.0 102.782 171.263 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.68 60.11 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 CA-C-O 122.253 1.025 . . . . 0.0 109.289 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.96 143.18 51.02 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-O 123.089 1.423 . . . . 0.0 109.98 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.13 129.97 61.47 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.691 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 173.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.2 m -127.46 119.56 26.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.927 -1.108 . . . . 0.0 108.935 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.63 39.34 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.926 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.67 38.98 24.22 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.857 -1.152 . . . . 0.0 112.798 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 11.09 83.5 Favored Glycine 0 N--CA 1.503 3.123 0 O-C-N 119.91 -1.744 . . . . 0.0 112.5 177.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.3 54.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.76 158.52 33.1 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-O 123.781 1.753 . . . . 0.0 112.432 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.39 31.41 Favored 'General case' 0 C--N 1.279 -2.5 0 CA-C-N 112.539 -2.119 . . . . 0.0 108.621 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.61 135.92 48.79 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.91 -6.81 47.65 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.658 -1.277 . . . . 0.0 110.731 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.5 12.97 31.55 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.698 -1.251 . . . . 0.0 109.408 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.9 t -133.08 104.18 6.39 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 122.232 1.015 . . . . 0.0 110.193 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.5 tp -57.26 -37.88 73.01 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.952 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -58.95 -51.3 70.64 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.566 -1.334 . . . . 0.0 113.057 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.47 70.66 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 119.542 -1.974 . . . . 0.0 109.205 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.85 -33.8 76.01 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.896 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.539 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 12.5 tp-100 -67.57 -10.48 52.24 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.634 -0.666 . . . . 0.0 109.929 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 30.9 p -89.81 -7.65 53.87 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 118.124 -1.43 . . . . 0.0 110.931 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.8 mt -93.4 159.29 15.32 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.208 -0.932 . . . . 0.0 110.152 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.86 2.97 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 106.916 -2.474 . . . . 0.0 106.916 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.58 47.42 1.71 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.668 -1.489 . . . . 0.0 107.387 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 356' ' ' THR . . . . . 1.027 HG22 HG21 ' C' ' 56' ' ' THR . 2.0 p -81.42 172.5 13.46 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.222 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.68 140.92 57.3 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.893 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.38 -3.16 79.13 Favored Glycine 0 N--CA 1.501 2.99 0 C-N-CA 120.031 -1.081 . . . . 0.0 111.351 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.43 135.88 34.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.88 -1.365 . . . . 0.0 110.593 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.47 123.75 48.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 106.355 -1.721 . . . . 0.0 106.355 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.23 160.0 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 C-N-CA 117.427 -1.709 . . . . 0.0 110.631 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.87 128.44 54.91 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.598 -1.314 . . . . 0.0 107.592 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.88 121.37 60.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.31 50.71 Favored 'General case' 0 C--N 1.285 -2.223 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 -179.548 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.5 47.2 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.67 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.77 6.4 Favored 'General case' 0 C--N 1.288 -2.07 0 C-N-CA 118.567 -1.253 . . . . 0.0 108.015 178.16 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.37 40.16 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 118.074 -2.013 . . . . 0.0 110.372 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.24 -40.7 82.41 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.418 -0.891 . . . . 0.0 112.224 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 115.897 -2.321 . . . . 0.0 108.583 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -33.58 65.77 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 -174.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.442 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.97 -45.6 26.97 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.593 -1.942 . . . . 0.0 110.925 -176.486 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.777 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.7 97.72 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.49 77.66 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 117.462 -1.695 . . . . 0.0 110.006 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.81 -42.21 88.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-O 122.185 0.993 . . . . 0.0 109.29 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.88 -47.94 76.48 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 122.037 0.922 . . . . 0.0 108.743 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.777 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.74 -38.38 76.82 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.696 -178.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.6 -28.6 58.96 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.389 -1.444 . . . . 0.0 110.9 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.58 71.27 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.39 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.8 -49.28 63.22 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.3 -45.17 84.44 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.004 -1.078 . . . . 0.0 110.52 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.39 85.51 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.93 -1.106 . . . . 0.0 111.508 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.85 61.61 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.059 -1.025 . . . . 0.0 110.21 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.81 -32.34 46.26 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.496 -0.753 . . . . 0.0 111.369 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.09 125.48 12.32 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 124.288 1.994 . . . . 0.0 112.859 178.723 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.821 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.565 0 CA-C-N 111.139 -2.755 . . . . 0.0 110.184 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 200' ' ' PO3 . . . . . 0.604 ' O3 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 8' ' ' VAL . 62.7 mt . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.87 -47.13 78.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.963 0.411 . . . . 1.9399999999999999 110.285 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -67.53 -35.51 79.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.266 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.12 -43.11 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 4' ' ' LEU . 77.7 t -60.82 -44.35 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.906 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.14 -42.56 90.96 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.509 -0.552 . . . . 0.17999999999999999 109.509 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.88 97.38 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' A' ' 55' ' ' GLN . 39.0 mt -62.94 -42.69 99.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.391 . . . . 0.0 110.202 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.02 -44.27 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.20000000000000001 109.763 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.51 HD11 ' HB1' ' D' ' 320' ' ' ALA . 86.9 mt -63.54 -43.99 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.01 110.02 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 1.3 t30 -61.01 -46.43 90.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.771 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -59.93 -44.67 94.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.963 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.432 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -62.01 -41.93 99.7 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.44 -44.08 95.56 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.64 -48.85 78.32 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.853 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.89 -45.93 92.64 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -55.42 -43.77 75.64 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.22 -41.99 98.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.721 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.19 -48.92 77.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.49 -41.35 89.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.617 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.33 89.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.775 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.36 90.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.671 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.23 -45.63 93.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.369 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.692 ' NZ ' ' NE2' ' A' ' 31' ' ' GLN . 66.4 tttm -55.08 -43.17 73.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.42 -41.95 90.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.763 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.4 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.684 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.19 -30.04 70.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.149 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.692 ' NE2' ' NZ ' ' A' ' 27' ' ' LYS . 88.3 mt-30 -82.98 -4.46 58.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.435 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.51 17.72 67.94 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -99.78 79.52 2.24 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.792 0.33 . . . . 0.0 110.301 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.6 -33.87 76.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.664 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.97 81.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.027 0.442 . . . . 0.0 110.763 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.1 79.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.351 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.92 81.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.578 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -61.1 -43.02 99.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.597 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.6 99.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.758 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.1 mtt -65.72 -41.96 91.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.469 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.437 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.3 mtm -64.14 -41.35 97.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.667 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.41 -45.45 93.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.491 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.86 -40.76 97.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.5 m -61.22 -45.45 94.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.517 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -61.11 -42.38 98.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.267 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.71 -43.54 97.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.197 0.522 . . . . 0.0 110.611 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.89 99.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.24 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.97 -39.86 94.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.58 -42.2 98.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.24 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.04 -40.54 91.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.215 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.39 -43.76 80.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.445 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.66 -38.16 89.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.089999999999999997 110.387 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.09 -44.18 97.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.313 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.4 -43.19 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.04 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.568 ' NE2' ' HB1' ' A' ' 77' ' ' ALA . 11.8 tp-100 -60.27 -42.94 96.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.226 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -57.08 -42.6 81.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.059999999999999998 110.062 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -62.19 -38.52 89.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.985 0.422 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.96 -30.11 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.67 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.657 HD11 HE21 ' A' ' 78' ' ' GLN . 84.6 mt -83.7 -32.98 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.049 -0.523 . . . . 0.050000000000000003 110.885 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.562 ' O ' HG23 ' A' ' 75' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.461 0.101 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.4 mt -57.41 -45.89 84.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.613 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.602 HG13 HG21 ' A' ' 8' ' ' VAL . 74.7 t -64.19 -47.39 90.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.913 0.387 . . . . 0.0 110.598 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' CG1' ' A' ' 59' ' ' ILE . 90.3 mt -63.81 -41.81 97.82 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 116.204 -0.453 . . . . 0.11 110.886 -178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 71' ' ' SER . 55.4 t -59.87 -47.7 90.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.766 -0.652 . . . . 0.38 110.201 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -58.99 -46.26 88.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.832 0.349 . . . . 0.0 110.355 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.568 ' HB1' ' NE2' ' A' ' 55' ' ' GLN . . . -64.42 -44.06 92.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.434 -0.348 . . . . 0.059999999999999998 110.634 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.657 HE21 HD11 ' A' ' 59' ' ' ILE . 84.6 mt-30 -61.99 -40.1 94.47 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.256 -0.429 . . . . 1.0900000000000001 110.2 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.649 HD21 ' SD ' ' C' ' 82' ' ' MET . 46.1 tp -56.99 -46.47 82.22 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.374 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -67.79 -46.7 71.21 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.679 -0.408 . . . . 0.080000000000000002 110.734 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.7 -46.13 91.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.839 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.55 ' SD ' HD21 ' B' ' 79' ' ' LEU . 80.1 mtp -63.43 -42.9 98.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.212 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.2 p -64.41 -48.39 75.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.09 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.45 -49.11 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.465 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 tpp -57.67 -47.78 81.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.592 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.9 -44.75 96.15 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.027 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -48.16 82.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.9 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -58.44 -45.39 88.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.12 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.1 mt-10 -61.33 -43.66 98.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.042 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.23 -42.77 96.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.156 0.503 . . . . 0.0 109.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.553 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.1 mt -60.43 -42.49 91.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.278 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.0 m -57.53 -46.02 84.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.057 0.456 . . . . 0.0 109.904 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.516 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.5 mt-10 -63.35 -43.2 98.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.594 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.32 -42.84 92.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.368 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.437 HD12 ' SD ' ' A' ' 41' ' ' MET . 89.3 mt -61.62 -42.72 95.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.482 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.508 ' HG2' ' HZ3' ' A' ' 100' ' ' LYS . 84.6 tt0 -60.96 -39.22 88.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.508 HD21 ' NE2' ' B' ' 98' ' ' HIS . 79.9 mt -62.28 -42.27 99.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.91 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -59.33 -39.59 83.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.73 -41.93 96.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.175 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.508 ' HZ3' ' HG2' ' A' ' 96' ' ' GLU . 61.0 mttp -64.58 -37.72 88.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.186 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.421 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.641 ' O ' HG23 ' B' ' 8' ' ' VAL . 61.9 mt . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.558 0.218 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.93 -46.97 79.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.931 0.396 . . . . 1.9399999999999999 110.396 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.69 -35.5 78.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.215 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.06 -43.24 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 4' ' ' LEU . 81.1 t -60.91 -44.3 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.889 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.12 -42.24 90.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.506 -0.553 . . . . 0.17999999999999999 109.506 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.32 -41.51 96.59 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' B' ' 55' ' ' GLN . 39.6 mt -63.13 -42.27 99.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.828 0.347 . . . . 0.0 110.363 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.57 -44.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 0.28999999999999998 109.657 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.24 -44.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.991 -0.55 . . . . 0.02 109.939 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 1.4 t30 -60.77 -46.75 89.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.772 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 12.0 t -59.36 -44.66 92.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.191 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.35 -42.09 99.72 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.15 -43.55 98.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.08 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.845 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.53 -45.66 93.0 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -55.75 -43.61 76.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.21 -42.22 99.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.652 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.573 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.23 -48.73 78.09 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.413 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.0 m-85 -59.45 -41.36 89.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.669 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.12 90.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.697 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.32 90.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.6 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.55 -45.19 95.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.319 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.686 ' NZ ' ' NE2' ' B' ' 31' ' ' GLN . 66.4 tttm -55.59 -43.0 75.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -59.75 -41.46 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.869 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.49 91.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.776 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.18 -30.15 70.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.044 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.686 ' NE2' ' NZ ' ' B' ' 27' ' ' LYS . 88.3 mt-30 -82.82 -4.75 58.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.77 18.06 66.55 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -100.01 78.98 2.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.32 . . . . 0.0 110.326 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -64.49 -33.71 76.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.543 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.33 80.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.02 79.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.418 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.1 80.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.512 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -60.89 -43.32 98.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.524 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.95 99.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.737 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 60.8 mtt -65.47 -42.15 92.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.425 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.2 mtm -63.75 -41.77 97.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.63 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.26 -45.37 93.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.446 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.66 -41.2 98.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.31 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.8 m -60.8 -45.9 92.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.479 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -60.68 -42.27 96.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.358 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.77 -43.8 97.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.345 0.593 . . . . 0.0 110.671 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.95 99.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.115 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.408 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 13.9 mt -64.92 -39.62 93.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.75 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.85 -42.06 98.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.322 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.06 -40.67 91.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.209 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.428 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.12 -44.11 80.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.418 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.51 -38.17 88.88 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.089999999999999997 110.261 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.04 -43.96 98.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.32 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.63 -43.2 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.119 0.485 . . . . 0.0 110.003 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.602 ' NE2' ' HB1' ' B' ' 77' ' ' ALA . 11.7 tp-100 -60.45 -42.67 96.6 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.256 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -57.58 -42.37 83.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.059999999999999998 109.964 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -62.09 -38.91 90.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 0.0 110.531 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 58' ' ' LEU . 97.9 mt -65.45 -30.45 71.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.747 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.647 HD11 HE21 ' B' ' 78' ' ' GLN . 83.6 mt -83.4 -33.0 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.035 -0.529 . . . . 0.040000000000000001 110.771 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.853 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.608 ' O ' HG23 ' B' ' 75' ' ' VAL . 12.6 p . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 121.043 0.449 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.42 -45.57 93.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.569 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.587 HG13 HG21 ' B' ' 8' ' ' VAL . 71.4 t -63.38 -46.54 95.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.617 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.47 HD22 ' CG1' ' B' ' 59' ' ' ILE . 90.0 mt -64.32 -41.42 96.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.11 110.97 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 71' ' ' SER . 54.6 t -60.09 -47.33 92.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.768 -0.651 . . . . 0.38 110.249 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.64 ' CE1' ' HE2' ' B' ' 80' ' ' HIS . 58.7 t-80 -59.5 -46.16 89.63 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.866 -0.334 . . . . 1.1100000000000001 110.297 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.602 ' HB1' ' NE2' ' B' ' 55' ' ' GLN . . . -64.09 -44.21 93.02 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.942 0.401 . . . . 0.059999999999999998 110.457 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.647 HE21 HD11 ' B' ' 59' ' ' ILE . 85.0 mt-30 -62.15 -40.42 95.91 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 116.141 -0.482 . . . . 1.0900000000000001 110.194 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.55 HD21 ' SD ' ' A' ' 82' ' ' MET . 44.2 tp -56.67 -46.49 81.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.389 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.64 ' HE2' ' CE1' ' B' ' 76' ' ' HIS . 77.8 m-70 -68.12 -46.18 71.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.387 -0.37 . . . . 0.080000000000000002 110.688 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.23 -46.21 91.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.849 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . 0.528 ' SD ' HD21 ' C' ' 79' ' ' LEU . 80.1 mtp -63.19 -43.01 99.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.254 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.3 p -64.36 -48.3 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.25 -49.01 78.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.612 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpp -57.82 -48.01 80.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.469 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.63 -44.6 96.69 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.143 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.81 84.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.933 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.408 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 73.0 ttp85 -58.37 -45.56 88.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.186 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.9 mt-10 -61.37 -43.66 98.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.17 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.09 -42.67 96.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 110.018 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.573 HD12 ' HB1' ' B' ' 22' ' ' ALA . 80.5 mt -60.64 -42.32 91.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 86.1 m -57.77 -45.62 85.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.069 0.462 . . . . 0.0 109.86 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.521 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.6 mt-10 -63.8 -42.97 97.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.519 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.516 HD13 ' OE1' ' A' ' 93' ' ' GLU . 76.0 mt -59.48 -43.12 93.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.425 HD12 ' SD ' ' B' ' 41' ' ' MET . 88.5 mt -61.34 -42.92 95.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.489 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . 0.511 ' HG2' ' HZ3' ' B' ' 100' ' ' LYS . 84.0 tt0 -60.58 -39.61 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.731 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.517 HD21 ' NE2' ' C' ' 98' ' ' HIS . 80.4 mt -62.12 -41.98 98.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.876 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.508 ' NE2' HD21 ' A' ' 97' ' ' LEU . 51.9 m170 -59.5 -39.52 84.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.759 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.92 -41.95 97.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.076 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . 0.511 ' HZ3' ' HG2' ' B' ' 96' ' ' GLU . 61.0 mttp -64.62 -37.52 87.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.387 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.662 ' O ' HG23 ' C' ' 8' ' ' VAL . 63.0 mt . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.596 0.236 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.87 -47.13 79.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 1.9399999999999999 110.361 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.4 -35.48 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.36 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.16 -42.96 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.337 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.662 HG23 ' O ' ' C' ' 4' ' ' LEU . 82.9 t -60.91 -44.27 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.032 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.7 mtp -59.26 -42.29 90.8 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.616 -0.513 . . . . 0.17999999999999999 109.616 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -41.74 97.1 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' C' ' 55' ' ' GLN . 38.6 mt -63.0 -42.88 99.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.342 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.0 -44.13 99.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.29999999999999999 109.727 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.38 -43.95 98.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.049 -0.523 . . . . 0.02 110.033 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 1.3 t30 -61.19 -46.3 91.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.791 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.93 -44.55 94.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.126 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.41 -42.2 99.72 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.94 -43.84 97.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -49.3 77.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.748 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.64 -45.46 93.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 67.1 m -55.64 -44.21 76.92 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.74 -42.19 98.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.784 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.24 -48.88 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.425 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.3 m-85 -59.52 -41.23 89.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.537 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.38 90.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.71 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.12 91.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.581 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.56 -45.13 95.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.371 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . 0.681 ' NZ ' ' NE2' ' C' ' 31' ' ' GLN . 66.4 tttm -55.68 -42.67 75.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -60.11 -40.99 91.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.92 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.86 92.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.805 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.92 -30.26 70.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.049 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.681 ' NE2' ' NZ ' ' C' ' 27' ' ' LYS . 88.3 mt-30 -82.52 -5.07 58.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.475 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.06 18.15 65.66 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.17 79.27 2.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.722 0.296 . . . . 0.0 110.318 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -64.79 -33.74 76.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.558 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.24 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.986 0.422 . . . . 0.0 110.617 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.37 -34.78 79.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.07 80.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.541 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -60.95 -43.33 98.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.601 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.26 99.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.39 -42.06 93.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.429 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.8 mtm -63.86 -41.78 97.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.638 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.36 -45.48 92.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.415 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.57 -40.85 98.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.288 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -61.18 -45.52 94.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.531 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -61.26 -41.77 97.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.319 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -61.06 -43.83 98.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.343 0.592 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.99 99.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.367 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.401 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 13.6 mt -64.97 -39.47 93.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.731 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -62.27 -41.72 98.72 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.35 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.22 -40.77 90.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.95 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.432 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.31 -43.84 80.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.421 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.592 ' CD2' ' OD1' ' D' ' 312' ' ' ASN . 84.3 t60 -62.66 -38.26 89.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.089999999999999997 110.282 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 53' ' ' LEU . 37.8 mt -61.09 -43.93 98.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.357 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.55 -43.25 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.963 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.609 ' NE2' ' HB1' ' C' ' 77' ' ' ALA . 11.7 tp-100 -60.26 -43.05 96.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.27 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.845 HG21 HG22 ' D' ' 356' ' ' THR . 18.6 m -57.2 -42.46 81.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.059999999999999998 110.147 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -62.21 -38.4 89.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.916 0.388 . . . . 0.0 110.513 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.407 HD22 HD22 ' C' ' 4' ' ' LEU . 97.9 mt -65.79 -30.35 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.77 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.635 HD11 HE21 ' C' ' 78' ' ' GLN . 82.8 mt -83.5 -32.94 9.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.942 -0.572 . . . . 0.059999999999999998 110.88 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 80.1 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.428 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 CA--C 1.518 -0.257 0 CA-C-O 120.697 0.284 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.583 HG13 HG21 ' C' ' 8' ' ' VAL . 65.0 t -64.81 -47.21 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 130.213 3.405 . . . . 0.0 110.606 -178.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.472 HD22 ' CG1' ' C' ' 59' ' ' ILE . 94.1 mt -66.07 -41.42 90.77 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.075 0.464 . . . . 0.11 111.017 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.16 -48.05 89.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.78 -0.645 . . . . 0.40000000000000002 110.231 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.543 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 58.6 t-80 -58.91 -46.69 87.3 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.867 -0.333 . . . . 1.02 110.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.609 ' HB1' ' NE2' ' C' ' 55' ' ' GLN . . . -64.03 -43.85 94.32 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.059999999999999998 110.427 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.635 HE21 HD11 ' C' ' 59' ' ' ILE . 84.9 mt-30 -62.24 -40.31 95.72 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.308 -0.405 . . . . 1.0900000000000001 110.235 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.528 HD21 ' SD ' ' B' ' 82' ' ' MET . 45.9 tp -57.1 -46.12 82.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.487 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.543 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 78.0 m-70 -68.28 -46.27 70.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.3 -0.409 . . . . 0.080000000000000002 110.662 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.09 -46.13 91.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.884 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . 0.649 ' SD ' HD21 ' A' ' 79' ' ' LEU . 81.3 mtp -63.43 -42.87 98.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.307 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.509 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -64.35 -48.39 75.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.125 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.2 -49.22 78.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.558 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpp -57.52 -47.94 80.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.709 0.29 . . . . 0.0 110.557 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.7 -44.8 96.25 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.187 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.87 83.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.401 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 73.0 ttp85 -58.5 -45.65 88.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.198 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.96 -43.7 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.194 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.24 -43.03 96.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.134 0.492 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.563 HD12 ' HB1' ' C' ' 22' ' ' ALA . 79.2 mt -60.24 -42.14 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.387 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 88.5 m -57.96 -45.48 86.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.068 0.461 . . . . 0.0 109.972 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.93 -42.82 97.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.504 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.521 HD13 ' OE1' ' B' ' 93' ' ' GLU . 77.0 mt -59.48 -43.01 93.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.429 HD12 ' SD ' ' C' ' 41' ' ' MET . 88.7 mt -61.48 -42.79 95.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.636 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . 0.449 ' HG2' ' HZ3' ' C' ' 100' ' ' LYS . 84.2 tt0 -60.49 -39.9 89.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.83 -42.4 98.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.832 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.517 ' NE2' HD21 ' B' ' 97' ' ' LEU . 52.6 m170 -59.23 -39.7 83.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' C' ' 103' ' ' ALA . 83.4 tt0 -60.66 -42.17 96.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.094 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . 0.449 ' HZ3' ' HG2' ' C' ' 96' ' ' GLU . 61.0 mttp -64.4 -37.52 87.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.147 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -64.91 -41.58 95.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.35 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.31 -6.59 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 121.877 0.846 . . . . 0.0 108.95 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.72 143.06 36.84 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.06 156.31 38.5 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.984 -1.072 . . . . 0.0 109.554 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.16 149.11 28.41 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.39 18.85 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.976 -1.077 . . . . 0.0 108.41 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.84 144.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.69 136.62 36.96 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 122.142 0.973 . . . . 0.0 110.142 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -85.0 114.29 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.84 -4.29 19.42 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.62 141.77 85.48 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.629 -1.919 . . . . 0.0 110.609 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.46 -47.64 12.85 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.769 3.646 . . . . 0.0 114.156 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.592 ' OD1' ' CD2' ' C' ' 52' ' ' HIS . 99.9 m-20 -102.1 27.47 6.6 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 116.131 -2.228 . . . . 0.0 108.842 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.56 -130.03 31.18 Favored Glycine 0 N--CA 1.497 2.708 0 C-N-CA 117.734 -2.174 . . . . 0.0 109.571 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.68 77.42 1.59 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.003 -1.292 . . . . 0.0 109.51 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.06 175.04 9.79 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 117.867 -1.533 . . . . 0.0 112.153 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 65.5 p -22.98 -69.99 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 117.257 2.318 . . . . 0.0 117.257 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.432 ' HE ' ' HA3' ' A' ' 16' ' ' GLY . 33.5 ttt-85 -44.8 -65.47 0.62 Allowed Pre-proline 0 N--CA 1.494 1.727 0 C-N-CA 120.141 -0.624 . . . . 0.0 112.553 -177.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.49 -32.21 59.87 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 C-N-CA 121.865 1.71 . . . . 0.0 111.473 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.473 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.97 -38.88 86.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.153 -0.967 . . . . 0.0 109.485 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.51 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.9 -39.73 72.59 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.9 -39.39 94.08 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.975 -1.49 . . . . 0.0 109.551 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.36 93.17 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.573 1.178 . . . . 0.0 108.686 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.3 t -62.69 -42.17 95.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.654 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.447 ' HZ1' HD12 ' A' ' 13' ' ' ILE . 92.1 mttt -63.96 -40.24 95.97 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.282 -0.886 . . . . 0.0 109.762 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.71 -39.67 80.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.448 -0.782 . . . . 0.0 109.62 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.96 92.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.571 -1.331 . . . . 0.0 109.395 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.29 -16.31 44.3 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 121.281 -0.887 . . . . 0.0 113.303 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.54 86.09 Favored Glycine 0 N--CA 1.477 1.431 0 O-C-N 119.913 -1.742 . . . . 0.0 109.337 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.49 143.38 32.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.24 -1.741 . . . . 0.0 110.018 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.57 -30.06 59.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.243 -0.91 . . . . 0.0 112.362 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.8 158.52 10.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 119.789 -1.82 . . . . 0.0 112.801 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.59 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.27 35.35 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 102.838 -3.023 . . . . 0.0 102.838 171.306 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.68 136.62 60.28 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 CA-C-O 122.208 1.004 . . . . 0.0 109.29 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.99 143.14 51.05 Favored 'General case' 0 C--N 1.285 -2.221 0 CA-C-O 123.154 1.454 . . . . 0.0 110.018 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.9 t -108.11 129.89 61.57 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.692 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.34 119.57 26.55 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.845 -1.16 . . . . 0.0 108.961 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.6 122.61 39.26 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.909 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.82 38.9 24.47 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.931 -1.106 . . . . 0.0 112.712 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 10.96 83.64 Favored Glycine 0 N--CA 1.502 3.041 0 O-C-N 119.934 -1.728 . . . . 0.0 112.577 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.31 54.53 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.79 158.53 33.13 Favored 'General case' 0 C--N 1.275 -2.645 0 CA-C-O 123.776 1.75 . . . . 0.0 112.444 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.75 151.38 31.31 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-N 112.396 -2.184 . . . . 0.0 108.572 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.61 135.99 48.85 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.76 47.53 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.674 -1.266 . . . . 0.0 110.763 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.54 12.93 31.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.717 -1.239 . . . . 0.0 109.295 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.3 t -133.01 104.17 6.41 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.141 0.972 . . . . 0.0 110.179 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.27 -37.94 73.13 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.9 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -58.89 -51.35 70.4 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.539 -1.351 . . . . 0.0 113.094 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.43 70.52 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 119.537 -1.977 . . . . 0.0 109.221 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.75 -33.75 75.8 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.004 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.521 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.62 -10.42 51.98 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.649 -0.657 . . . . 0.0 109.947 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.5 p -89.91 -7.63 53.71 Favored 'General case' 0 N--CA 1.502 2.139 0 C-N-CA 118.086 -1.446 . . . . 0.0 110.901 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.0 mt -93.36 159.26 15.33 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.21 -0.931 . . . . 0.0 110.153 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.65 104.81 2.96 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 106.981 -2.448 . . . . 0.0 106.981 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.5 mt -119.62 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.142 0 O-C-N 120.664 -1.492 . . . . 0.0 107.381 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.845 HG22 HG21 ' C' ' 56' ' ' THR . 5.2 p -81.41 172.61 13.33 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.228 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -60.72 140.92 57.35 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.401 -0.92 . . . . 0.0 109.83 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.2 79.25 Favored Glycine 0 N--CA 1.501 2.987 0 C-N-CA 120.047 -1.073 . . . . 0.0 111.361 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.35 135.85 34.13 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.891 -1.358 . . . . 0.0 110.748 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.6 t -96.45 123.74 48.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.2 m -112.22 160.1 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.298 0 C-N-CA 117.373 -1.731 . . . . 0.0 110.619 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.6 m -108.89 128.37 54.86 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 120.503 -1.373 . . . . 0.0 107.598 175.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.84 121.36 60.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.21 50.7 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.41 47.17 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 118.481 -1.288 . . . . 0.0 109.743 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.83 6.43 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 118.595 -1.242 . . . . 0.0 108.019 178.211 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.32 40.15 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 117.918 -2.086 . . . . 0.0 110.295 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.67 82.84 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 114.363 -0.918 . . . . 0.0 112.161 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.04 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 118.934 -2.353 . . . . 0.0 108.588 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.32 -33.51 65.65 Favored 'General case' 0 N--CA 1.522 3.167 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.454 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.97 -45.63 26.83 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 119.547 -1.971 . . . . 0.0 110.914 -176.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.84 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.74 97.86 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.58 77.36 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 117.55 -1.66 . . . . 0.0 110.085 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.91 -42.12 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 CA-C-O 122.182 0.992 . . . . 0.0 109.262 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.9 -47.95 76.51 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.016 0.912 . . . . 0.0 108.707 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.84 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.29 76.64 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.705 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' D' ' 377' ' ' LEU . 79.9 mt -75.65 -28.57 58.81 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.37 -1.456 . . . . 0.0 110.837 -174.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.52 71.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.479 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.15 63.49 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.31 -45.15 84.5 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 118.946 -1.101 . . . . 0.0 110.553 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.41 -37.37 85.56 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.94 -1.1 . . . . 0.0 111.526 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.87 -31.89 61.73 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.136 -0.977 . . . . 0.0 110.216 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.82 -32.32 46.2 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.478 -0.763 . . . . 0.0 111.372 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.04 125.44 12.14 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 124.293 1.997 . . . . 0.0 112.916 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 11.3 pt-20 . . . . . 0 C--N 1.277 -2.58 0 CA-C-N 111.167 -2.742 . . . . 0.0 110.138 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.688 ' O ' HG23 ' A' ' 8' ' ' VAL . 62.0 mt . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.37 -44.53 87.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.872 0.368 . . . . 1.9399999999999999 110.216 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -67.2 -36.24 81.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.193 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.514 HG11 HD11 ' A' ' 58' ' ' LEU . 85.8 t -64.01 -42.24 95.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 4' ' ' LEU . 94.1 t -60.27 -44.81 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.932 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.405 ' CE ' HD22 ' D' ' 347' ' ' LEU . 90.6 mtp -59.44 -41.75 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.5 -0.555 . . . . 0.17999999999999999 109.5 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.43 -41.92 97.83 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.8 -42.91 99.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.227 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.32 -44.05 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.20000000000000001 109.721 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.514 HD11 ' HB1' ' D' ' 320' ' ' ALA . 88.8 mt -63.51 -44.56 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.01 109.984 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.509 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.9 t-20 -60.97 -46.11 92.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.776 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -60.54 -43.45 97.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.941 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.42 -43.27 98.49 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.501 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 92.5 mm-40 -62.2 -44.47 96.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.05 81.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.877 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.522 ' NH2' ' OG1' ' A' ' 83' ' ' THR . 42.9 ttm180 -61.23 -46.11 91.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -56.62 -43.18 79.94 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.27 -41.83 98.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.708 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.27 -48.32 79.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -60.43 -41.01 93.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.572 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.5 95.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.815 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.33 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.714 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.44 -45.39 94.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.508 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.15 -42.68 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.31 -41.22 93.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.772 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.35 95.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.745 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.24 -29.91 70.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.119 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -80.07 -4.16 51.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.46 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.4 13.76 72.76 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.33 79.76 2.57 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.766 0.317 . . . . 0.0 110.3 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -64.96 -33.69 76.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.624 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.42 78.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.086 0.469 . . . . 0.0 110.753 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.38 80.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.91 88.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.86 -40.53 97.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.616 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.6 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.742 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.6 mmm -64.63 -40.41 95.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.455 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 4.2 mmt -62.57 -41.64 99.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.608 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.96 -42.74 99.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 0.0 110.584 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -62.7 -39.8 95.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.213 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.42 ' HB3' ' HE ' ' A' ' 88' ' ' ARG . 39.7 t -61.95 -45.22 94.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.516 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.406 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 60.7 ttt85 -60.66 -42.25 96.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.349 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.7 mtt -61.96 -43.13 99.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 110.572 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.95 96.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.192 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.19 -40.31 94.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.657 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.9 -42.16 97.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.3 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.37 -40.45 93.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.204 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.509 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.44 -44.32 83.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.469 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -62.65 -37.84 87.97 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.03 -0.532 . . . . 0.089999999999999997 110.412 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.8 mt -61.22 -44.36 97.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.338 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.99 -43.75 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.055 0.455 . . . . 0.0 110.027 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.477 ' NE2' ' CB ' ' A' ' 77' ' ' ALA . 5.6 tp-100 -60.69 -42.81 97.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -55.99 -43.78 77.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.059999999999999998 110.027 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.41 -39.95 89.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 110.563 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.514 HD11 HG11 ' A' ' 7' ' ' VAL . 96.2 mt -67.96 -38.13 82.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.702 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -67.93 -39.79 82.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.048 -0.523 . . . . 0.050000000000000003 110.882 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.474 -179.112 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.2 p . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.66 -44.68 81.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.578 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.459 ' CG1' HG21 ' A' ' 8' ' ' VAL . 52.9 t -62.28 -45.71 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.0 110.537 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.54 -39.69 91.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.283 -0.417 . . . . 0.11 110.93 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.4 t -59.46 -47.35 91.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.752 -0.658 . . . . 0.38 110.227 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -58.18 -45.6 87.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.759 0.314 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.477 ' CB ' ' NE2' ' A' ' 55' ' ' GLN . . . -63.32 -40.83 98.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.552 -0.294 . . . . 0.059999999999999998 110.586 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.433 HE21 ' HG2' ' A' ' 55' ' ' GLN . 85.6 mm-40 -62.32 -40.46 96.4 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.238 -0.437 . . . . 1.0900000000000001 110.209 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 83' ' ' THR . 39.3 tp -57.43 -46.47 83.53 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.375 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -67.78 -47.47 69.09 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.737 -0.385 . . . . 0.080000000000000002 110.736 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -60.95 -45.79 93.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.849 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.28 -43.29 99.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.193 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.522 ' OG1' ' NH2' ' A' ' 19' ' ' ARG . 22.5 p -63.74 -46.15 86.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.092 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.8 m -62.12 -50.1 73.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.413 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.2 ttp -57.45 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.562 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.01 -43.89 97.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.16 82.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.825 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.42 ' HE ' ' HB3' ' A' ' 44' ' ' SER . 67.8 ttt-85 -58.88 -45.82 89.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.068 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.478 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -60.59 -44.2 96.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.096 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.44 -42.6 95.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.182 0.515 . . . . 0.0 109.863 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.573 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.9 mt -60.89 -42.36 92.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.326 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.455 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 81.8 m -58.18 -45.91 86.7 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.513 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.8 mt-10 -63.2 -43.3 98.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.57 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.557 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 74.7 mt -59.82 -43.02 94.73 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.97 -43.08 95.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.498 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -62.1 -39.07 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 97' ' ' LEU . 35.9 mt -62.81 -41.76 99.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.9 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.557 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -60.08 -39.18 85.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.048 0.452 . . . . 0.0 109.811 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.78 -40.33 94.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.178 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.98 -38.32 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.351 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.689 ' O ' HG23 ' B' ' 8' ' ' VAL . 61.7 mt . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.556 0.217 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.36 -44.71 86.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.986 0.422 . . . . 1.9399999999999999 110.345 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -66.71 -36.15 81.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.162 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.494 HG11 HD11 ' B' ' 58' ' ' LEU . 87.4 t -64.47 -42.12 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.338 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 4' ' ' LEU . 93.3 t -60.47 -44.54 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.898 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.6 -41.79 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.512 -0.551 . . . . 0.17999999999999999 109.512 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.16 97.58 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 11' ' ' LEU . 35.8 mt -62.54 -42.71 99.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.857 0.36 . . . . 0.0 110.409 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.65 -43.92 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.28999999999999998 109.719 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.56 -44.64 98.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.946 -0.57 . . . . 0.02 109.997 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.509 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.4 t-20 -60.81 -45.99 92.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.849 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -60.82 -43.13 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.196 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.86 -42.65 98.35 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -62.79 -44.35 96.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.86 82.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.944 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OG1' ' B' ' 83' ' ' THR . 43.0 ttm180 -61.02 -46.36 91.07 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -56.33 -43.59 79.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.11 -41.89 98.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.719 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.567 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.17 -48.63 78.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.478 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 23.4 m-85 -60.19 -40.88 91.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.677 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.72 95.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.743 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.5 90.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.617 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.39 -45.55 93.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.322 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.19 -42.44 73.24 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.74 -40.99 94.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.848 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.35 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.761 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.22 -30.04 70.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.094 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -79.93 -4.33 51.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.453 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.61 13.77 72.13 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.14 79.74 2.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.835 0.35 . . . . 0.0 110.304 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -65.09 -33.61 76.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.708 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.95 76.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.004 0.43 . . . . 0.0 110.755 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.37 80.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.434 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.23 86.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.527 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.61 -40.89 98.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.572 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.51 96.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.702 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 94.7 mmm -64.88 -40.54 95.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.471 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 4.0 mmt -62.51 -41.79 99.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.562 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -62.6 -42.91 99.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.41 -39.95 94.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.279 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.417 ' HB3' ' HE ' ' B' ' 88' ' ' ARG . 38.9 t -62.04 -45.23 94.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.422 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.55 -42.13 95.94 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.318 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -61.93 -43.49 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.301 0.572 . . . . 0.0 110.681 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.86 97.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.104 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 48' ' ' LEU . 92.6 mt -65.52 -40.05 92.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.75 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -61.19 -41.82 97.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.379 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.76 -40.2 91.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.084 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.509 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.69 -44.28 82.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.435 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.79 -37.73 87.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.089999999999999997 110.308 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.7 mt -61.34 -44.42 97.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.365 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.92 -44.08 96.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.128 0.489 . . . . 0.0 110.044 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.492 ' NE2' ' HB3' ' B' ' 77' ' ' ALA . 5.6 tp-100 -60.35 -42.74 96.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.257 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.11 -43.69 78.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.059999999999999998 109.966 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.6 -39.72 89.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.958 0.409 . . . . 0.0 110.561 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.494 HD11 HG11 ' B' ' 7' ' ' VAL . 96.1 mt -68.18 -37.95 81.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.703 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.96 -39.86 82.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.040000000000000001 110.839 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 -179.229 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 121.057 0.456 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.29 -44.28 92.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.499 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.455 ' CG1' HG21 ' B' ' 8' ' ' VAL . 53.5 t -61.79 -45.01 99.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.92 -39.29 91.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.067 0.46 . . . . 0.11 110.919 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.52 -47.13 91.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.825 -0.625 . . . . 0.38 110.248 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.627 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 58.8 t-80 -58.25 -46.14 86.51 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.893 -0.323 . . . . 1.1100000000000001 110.302 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.492 ' HB3' ' NE2' ' B' ' 55' ' ' GLN . . . -62.96 -40.9 99.09 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.818 0.342 . . . . 0.059999999999999998 110.361 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.432 HE21 ' HG2' ' B' ' 55' ' ' GLN . 86.4 mm-40 -62.25 -40.45 96.23 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.158 -0.473 . . . . 1.0900000000000001 110.259 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 83' ' ' THR . 38.9 tp -57.71 -46.17 84.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.376 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.627 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 87.4 m-70 -67.96 -47.06 69.66 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.756 -0.378 . . . . 0.080000000000000002 110.746 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.32 -45.69 93.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.876 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.31 -43.12 99.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.255 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.542 HG23 ' O ' ' B' ' 79' ' ' LEU . 23.6 p -63.99 -45.88 87.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.185 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -62.19 -50.16 72.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.3 -48.15 79.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.429 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.01 -43.76 98.16 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.109 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.14 82.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.894 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.417 ' HE ' ' HB3' ' B' ' 44' ' ' SER . 68.4 ttt-85 -58.81 -46.07 88.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.243 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.498 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.1 mt-10 -60.26 -44.43 95.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.056 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.32 -42.42 96.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 110.06 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.567 HD12 ' HB1' ' B' ' 22' ' ' ALA . 74.7 mt -60.97 -42.62 93.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.194 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.471 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 72.6 m -58.04 -45.94 86.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.077 0.465 . . . . 0.0 109.857 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.507 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -62.97 -43.42 98.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.506 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.1 mt -59.68 -42.91 93.99 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.3 mt -61.24 -43.09 95.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.55 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.74 -39.65 92.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.731 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.8 mt -62.2 -42.23 99.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.864 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -59.65 -39.49 84.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.759 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.66 -40.39 94.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.143 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.9 -38.56 91.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.173 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.695 ' O ' HG23 ' C' ' 8' ' ' VAL . 60.9 mt . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.597 0.237 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.11 -44.8 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.813 0.339 . . . . 1.9399999999999999 110.353 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -66.69 -36.21 81.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.28 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.515 HG11 HD11 ' C' ' 58' ' ' LEU . 88.5 t -64.14 -42.8 96.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.311 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.695 HG23 ' O ' ' C' ' 4' ' ' LEU . 93.5 t -59.81 -44.65 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.049 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.66 -41.8 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.545 -0.539 . . . . 0.17999999999999999 109.545 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.08 97.96 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' C' ' 11' ' ' LEU . 35.6 mt -62.65 -42.73 99.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.884 0.373 . . . . 0.0 110.412 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.49 -43.95 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.29999999999999999 109.715 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.4 -44.74 99.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.013 -0.539 . . . . 0.02 110.041 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.514 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.3 t-20 -60.73 -46.01 92.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.807 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -60.7 -43.55 97.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.155 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.51 -42.91 98.8 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -62.38 -44.6 96.08 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.51 80.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.798 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OG1' ' C' ' 83' ' ' THR . 42.9 ttm180 -60.72 -46.53 90.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -56.41 -43.33 79.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -62.12 -41.79 98.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.671 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.588 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.12 -49.03 77.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.498 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -59.86 -41.42 91.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.536 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.63 94.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.655 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.12 91.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.551 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.83 -45.11 95.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.418 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.55 -42.4 74.58 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.8 -41.04 94.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.935 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.23 94.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.795 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.55 -29.63 70.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.052 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -80.23 -4.34 52.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.43 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.89 13.45 72.08 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -97.84 79.93 2.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.737 0.303 . . . . 0.0 110.246 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.24 -34.03 77.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.521 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.68 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.075 0.464 . . . . 0.0 110.676 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.3 80.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.404 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.81 88.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.477 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.95 -41.13 99.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.562 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.56 96.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.738 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 94.9 mmm -64.96 -40.58 95.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.449 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 4.1 mmt -62.63 -41.47 99.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.607 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.89 -42.94 99.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.912 0.387 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.44 -39.7 94.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.266 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.416 ' HB3' ' HE ' ' C' ' 88' ' ' ARG . 38.5 t -62.29 -45.23 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.57 -42.08 95.91 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.417 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 60.3 mtt -61.96 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.335 0.588 . . . . 0.0 110.504 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.74 97.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.311 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.3 mt -65.82 -40.23 91.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.675 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.98 -42.02 97.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.347 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.18 -40.86 94.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.029 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.514 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.43 -44.18 83.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.451 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.558 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 85.5 t60 -62.76 -37.67 87.56 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.089999999999999997 110.285 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.55 -44.36 97.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.373 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.82 -43.69 96.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.082 0.468 . . . . 0.0 110.077 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.49 ' NE2' ' CB ' ' C' ' 77' ' ' ALA . 5.6 tp-100 -60.75 -42.86 98.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.25 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.805 HG21 HG22 ' D' ' 356' ' ' THR . 19.4 m -56.04 -43.54 77.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.059999999999999998 110.159 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.59 -39.61 88.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.521 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.515 HD11 HG11 ' C' ' 7' ' ' VAL . 96.2 mt -68.09 -38.08 81.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.742 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.03 -39.75 82.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.059999999999999998 110.801 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.524 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.9 mm-40 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 tp . . . . . 0 CA--C 1.519 -0.214 0 CA-C-O 120.61 0.243 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.401 ' CG1' HG21 ' C' ' 8' ' ' VAL . 54.3 t -62.57 -45.27 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 130.134 3.374 . . . . 0.0 110.568 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.76 -39.66 94.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.08 0.467 . . . . 0.11 110.957 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.22 -47.92 88.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.752 -0.658 . . . . 0.40000000000000002 110.274 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.627 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 58.8 t-80 -58.17 -45.95 86.57 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.88 -0.328 . . . . 1.02 110.324 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.49 ' CB ' ' NE2' ' C' ' 55' ' ' GLN . . . -63.14 -40.67 98.25 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.908 0.385 . . . . 0.059999999999999998 110.439 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.439 HE21 ' HG2' ' C' ' 55' ' ' GLN . 86.2 mm-40 -62.42 -40.58 96.99 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.244 -0.434 . . . . 1.0900000000000001 110.237 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.542 ' O ' HG23 ' C' ' 83' ' ' THR . 37.8 tp -57.54 -46.24 84.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.501 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.627 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 87.3 m-70 -68.07 -46.86 69.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.301 -0.409 . . . . 0.080000000000000002 110.762 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.4 -45.81 92.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.814 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.34 -42.93 99.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.424 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.542 HG23 ' O ' ' C' ' 79' ' ' LEU . 24.3 p -64.07 -45.96 86.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.28 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -62.13 -50.11 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.22 -48.18 79.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.491 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.86 -43.97 97.77 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.148 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.51 80.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.941 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.416 ' HE ' ' HB3' ' C' ' 44' ' ' SER . 67.9 ttt-85 -58.43 -46.33 86.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.234 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.95 -44.41 94.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.908 0.385 . . . . 0.0 110.194 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.43 -42.49 95.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.152 0.501 . . . . 0.0 110.003 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.588 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.0 mt -60.84 -42.71 93.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.367 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.449 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 76.0 m -57.82 -45.8 85.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.138 0.494 . . . . 0.0 110.028 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.33 -43.52 97.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.486 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 76.5 mt -59.24 -43.13 92.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.15 -43.0 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.547 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -61.72 -39.67 92.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.701 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.1 mt -62.15 -42.02 98.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.944 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.0 m80 -60.01 -39.32 85.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.734 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' C' ' 103' ' ' ALA . 84.0 tt0 -61.62 -40.37 94.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.103 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.83 -38.56 91.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.197 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.37 -41.11 96.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.312 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.25 -9.28 39.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.408 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.531 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.531 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.215 -0.726 0 CA-C-O 121.907 0.861 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.77 143.06 36.75 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.26 38.49 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.866 -1.146 . . . . 0.0 109.564 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.11 149.22 28.57 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 152.28 19.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.993 -1.067 . . . . 0.0 108.376 178.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.87 144.28 19.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.4 m -96.62 136.59 36.93 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 122.165 0.983 . . . . 0.0 110.133 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.32 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.87 -4.33 19.32 Favored 'General case' 0 C--N 1.265 -3.078 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.56 141.79 85.64 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 119.637 -1.914 . . . . 0.0 110.577 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.45 -47.68 12.78 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 124.769 3.646 . . . . 0.0 114.153 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.558 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 98.7 m-20 -102.14 27.59 6.52 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 116.059 -2.256 . . . . 0.0 108.806 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.69 -125.84 26.31 Favored Glycine 0 N--CA 1.496 2.676 0 C-N-CA 117.653 -2.213 . . . . 0.0 109.604 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.748 HD11 HD23 ' D' ' 384' ' ' LEU . 3.8 tp -128.21 75.85 1.65 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.938 -1.33 . . . . 0.0 109.458 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -80.79 174.53 11.53 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 117.909 -1.517 . . . . 0.0 112.129 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 58.6 p -24.78 -67.67 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.501 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 8.4 ttt-85 -45.54 -65.41 0.66 Allowed Pre-proline 0 N--CA 1.493 1.712 0 C-N-CA 120.108 -0.637 . . . . 0.0 112.488 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.6 -32.21 58.72 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 C-N-CA 121.869 1.713 . . . . 0.0 111.465 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.491 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.87 86.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.239 -0.913 . . . . 0.0 109.486 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.514 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.97 -39.67 72.4 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -64.0 -39.37 93.97 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 117.946 -1.501 . . . . 0.0 109.507 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.59 -45.35 93.31 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.656 1.217 . . . . 0.0 108.756 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.7 t -62.67 -42.18 95.09 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.689 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.411 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 63.4 mttm -63.91 -40.29 96.14 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.21 -0.931 . . . . 0.0 109.783 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.527 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.73 -39.73 80.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.424 -0.798 . . . . 0.0 109.57 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.02 91.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.58 -1.325 . . . . 0.0 109.46 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.35 -16.11 42.89 Favored 'General case' 0 N--CA 1.512 2.64 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.0 -10.54 86.2 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 119.954 -1.716 . . . . 0.0 109.268 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.423 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.31 32.89 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.26 -1.729 . . . . 0.0 109.998 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.55 -30.13 59.62 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.285 -0.884 . . . . 0.0 112.366 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.71 158.57 10.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 119.841 -1.787 . . . . 0.0 112.8 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.97 130.29 35.4 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 102.814 -3.032 . . . . 0.0 102.814 171.243 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.75 136.61 60.3 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-O 122.208 1.004 . . . . 0.0 109.336 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.9 143.2 50.98 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 123.08 1.419 . . . . 0.0 110.02 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.6 t -108.12 129.99 61.41 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.703 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 173.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.9 m -127.52 119.63 26.45 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.835 -1.166 . . . . 0.0 108.871 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.61 122.63 39.29 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.578 -0.701 . . . . 0.0 109.891 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.74 38.9 24.21 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.945 -1.097 . . . . 0.0 112.747 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 10.91 83.6 Favored Glycine 0 N--CA 1.5 2.952 0 O-C-N 119.956 -1.715 . . . . 0.0 112.556 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.77 136.3 54.51 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.78 158.58 32.98 Favored 'General case' 0 C--N 1.276 -2.623 0 CA-C-O 123.762 1.744 . . . . 0.0 112.494 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.74 151.44 31.41 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 112.508 -2.133 . . . . 0.0 108.575 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.62 135.9 48.76 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.94 -6.78 47.55 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.715 -1.24 . . . . 0.0 110.734 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.53 13.07 31.24 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.694 -1.254 . . . . 0.0 109.425 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 94.8 p -133.11 104.09 6.34 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.183 0.992 . . . . 0.0 110.144 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.405 HD22 ' CE ' ' A' ' 9' ' ' MET . 53.8 tp -57.19 -37.89 72.85 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.007 178.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -58.91 -51.35 70.42 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.6 -1.313 . . . . 0.0 113.068 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.35 70.33 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 119.616 -1.928 . . . . 0.0 109.224 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.75 75.84 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.945 -1.102 . . . . 0.0 109.924 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.524 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.68 -10.41 52.1 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.616 -0.677 . . . . 0.0 109.928 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.4 p -89.83 -7.67 53.8 Favored 'General case' 0 N--CA 1.503 2.215 0 C-N-CA 118.084 -1.446 . . . . 0.0 110.922 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.41 159.23 15.34 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.166 -0.958 . . . . 0.0 110.134 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.65 104.85 2.96 Favored Glycine 0 N--CA 1.485 1.928 0 N-CA-C 106.956 -2.457 . . . . 0.0 106.956 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . 0.439 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.9 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.308 -1.212 0 O-C-N 120.724 -1.456 . . . . 0.0 107.398 -178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.805 HG22 HG21 ' C' ' 56' ' ' THR . 2.2 p -81.41 172.54 13.42 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.284 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.72 140.92 57.35 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.321 -0.952 . . . . 0.0 109.862 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.16 78.99 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 120.015 -1.088 . . . . 0.0 111.35 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.39 135.91 34.08 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.873 -1.369 . . . . 0.0 110.658 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.53 123.7 48.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.23 160.08 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 C-N-CA 117.408 -1.717 . . . . 0.0 110.604 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.1 m -108.86 128.4 54.88 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.504 -1.373 . . . . 0.0 107.611 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.93 121.4 60.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.62 147.23 50.71 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -179.543 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.36 47.23 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 118.535 -1.266 . . . . 0.0 109.803 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.8 6.43 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 118.517 -1.273 . . . . 0.0 108.008 178.18 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.32 40.15 Favored Glycine 0 C--N 1.296 -1.671 0 C-N-CA 118.035 -2.031 . . . . 0.0 110.379 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.57 82.6 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.385 -0.908 . . . . 0.0 112.195 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 115.822 -2.351 . . . . 0.0 108.556 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.43 -33.51 65.91 Favored 'General case' 0 N--CA 1.521 3.085 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.84 -45.66 27.62 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 119.537 -1.977 . . . . 0.0 110.98 -176.563 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.833 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.56 -40.66 97.56 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 178.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.54 77.46 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 117.528 -1.669 . . . . 0.0 110.067 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.2 t -66.77 -42.3 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 CA-C-O 122.221 1.01 . . . . 0.0 109.264 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.82 -47.94 76.3 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.079 0.942 . . . . 0.0 108.78 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.833 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.8 -38.28 76.59 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.731 -178.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.3 mt -75.68 -28.54 58.72 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.373 -1.454 . . . . 0.0 110.9 -174.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.26 62.9 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.527 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.23 -45.28 84.03 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.076 -1.05 . . . . 0.0 110.501 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.28 -37.43 85.48 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.844 -1.16 . . . . 0.0 111.568 -177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.82 61.61 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.124 -0.985 . . . . 0.0 110.273 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.83 -32.31 46.14 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.475 -0.765 . . . . 0.0 111.323 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.748 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.11 125.5 12.38 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 124.383 2.039 . . . . 0.0 112.872 178.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.3 mm-40 . . . . . 0 C--N 1.278 -2.513 0 CA-C-N 111.061 -2.79 . . . . 0.0 110.127 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 8' ' ' VAL . 90.3 mt . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.77 -44.87 88.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.958 0.409 . . . . 1.9399999999999999 110.306 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.19 -34.99 78.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.262 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.09 -42.15 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.375 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 4' ' ' LEU . 99.0 t -61.05 -44.22 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.974 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.412 ' CE ' HD22 ' D' ' 347' ' ' LEU . 88.5 mtp -58.42 -41.25 84.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.491 -0.559 . . . . 0.17999999999999999 109.491 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -40.99 98.57 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.458 HD21 ' HB ' ' A' ' 54' ' ' VAL . 32.3 mt -63.35 -42.93 98.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.22 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.13 -44.48 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.20000000000000001 109.683 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.508 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.3 mt -63.6 -44.32 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.047 -0.524 . . . . 0.01 109.972 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.46 -46.32 89.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.842 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -60.73 -44.93 96.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.957 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.52 -43.02 99.62 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.563 ' NE2' HH21 ' D' ' 317' ' ' ARG . 91.1 mm-40 -63.49 -43.77 96.3 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.487 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.24 -49.32 78.3 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.829 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.45 -47.18 87.22 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.1 p -55.6 -44.1 76.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.13 -41.77 98.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.664 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.39 -49.95 74.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.403 0.621 . . . . 0.0 109.341 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.05 -40.74 90.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.557 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.33 94.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.46 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.676 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HB2' HG23 ' A' ' 91' ' ' ILE . 53.4 tp -61.72 -45.02 95.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.439 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.86 -42.42 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.67 -41.55 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.807 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.12 96.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.681 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.0 -28.76 69.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.186 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -80.29 -4.16 52.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.46 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.23 14.54 68.71 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.44 78.96 2.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.303 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -64.74 -34.55 78.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.67 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.41 74.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.491 . . . . 0.0 110.786 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.13 80.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.98 81.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.54 -42.19 98.46 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.62 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.56 99.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.789 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.3 mmm -65.77 -40.17 91.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.573 ' HE1' HG23 ' A' ' 92' ' ' THR . 91.0 mtp -63.43 -41.31 98.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.59 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.69 -44.56 96.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.981 0.42 . . . . 0.0 110.611 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.05 -41.66 99.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.222 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 41' ' ' MET . 77.9 p -60.92 -46.2 91.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.56 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.551 ' NH2' HH12 ' A' ' 88' ' ' ARG . 62.9 ttm-85 -60.14 -42.9 95.83 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.345 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 62.0 mtt -61.68 -43.01 99.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.269 0.557 . . . . 0.0 110.605 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.83 92.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.2 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' A' ' 18' ' ' ALA . 96.4 mt -65.32 -40.45 93.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.665 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.92 -42.08 97.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.245 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.05 -40.76 91.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.18 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.79 78.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.484 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -60.95 -38.85 87.3 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.089999999999999997 110.322 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.5 mt -59.98 -44.61 94.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.458 ' HB ' HD21 ' A' ' 11' ' ' LEU . 78.7 t -65.67 -42.77 93.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.069 0.461 . . . . 0.0 109.994 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.456 ' OE1' HD13 ' A' ' 11' ' ' LEU . 47.4 tp60 -59.95 -45.22 93.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.251 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -54.88 -43.97 73.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.059999999999999998 110.018 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -60.32 -39.63 87.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.497 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.82 -38.76 89.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.603 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.7 mt -72.53 -36.86 55.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.097 -0.501 . . . . 0.050000000000000003 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 75' ' ' VAL . 5.1 p . . . . . 0 C--O 1.226 -0.151 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.64 -45.29 85.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.603 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.565 HG13 HG21 ' A' ' 8' ' ' VAL . 74.9 t -64.06 -47.66 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.906 0.384 . . . . 0.0 110.588 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.51 -41.3 98.52 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.974 0.416 . . . . 0.11 110.874 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 71' ' ' SER . 54.6 t -59.81 -48.18 88.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.761 -0.654 . . . . 0.38 110.19 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -59.26 -45.82 90.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.835 0.35 . . . . 0.0 110.354 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.63 95.99 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.524 -0.307 . . . . 0.059999999999999998 110.639 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -62.64 -40.58 97.47 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.202 -0.454 . . . . 1.0900000000000001 110.191 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 83' ' ' THR . 47.6 tp -56.82 -45.93 82.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.434 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -67.03 -46.25 75.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.34 -0.391 . . . . 0.080000000000000002 110.776 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.9 -45.83 92.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.766 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.16 -43.55 98.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.15 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.8 p -63.46 -46.67 85.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.058 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.7 t -62.39 -48.81 78.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.445 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.57 -48.82 78.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.54 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.17 -44.47 97.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.058 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.24 80.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.853 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.551 HH12 ' NH2' ' A' ' 45' ' ' ARG . 76.5 ttt-85 -59.09 -45.61 90.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.173 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.4 -43.97 96.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.086 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.94 -42.21 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.17 0.509 . . . . 0.0 109.931 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.664 HD12 ' HB1' ' A' ' 22' ' ' ALA . 75.6 mt -60.14 -42.64 90.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.573 HG23 ' HE1' ' A' ' 41' ' ' MET . 67.8 m -56.94 -45.83 82.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.501 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.5 mt-10 -63.36 -43.25 98.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.578 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.541 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.6 mt -59.93 -43.16 95.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.59 -42.76 95.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.51 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -61.45 -39.79 92.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.087 0.47 . . . . 0.0 109.769 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 97' ' ' LEU . 38.0 mt -62.26 -42.17 99.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.879 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.541 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.4 m80 -59.7 -39.58 85.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.25 -39.36 92.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.152 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.93 -37.96 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.185 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.463 179.84 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.57 ' O ' HG23 ' B' ' 8' ' ' VAL . 90.4 mt . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.575 0.226 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 1.9399999999999999 110.362 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.8 -35.38 79.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.218 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.76 -42.4 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.358 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 4' ' ' LEU . 99.4 t -60.87 -44.28 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.881 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.42 -41.32 84.75 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.588 -0.523 . . . . 0.17999999999999999 109.588 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -41.16 98.68 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.459 HD13 ' OE1' ' B' ' 55' ' ' GLN . 32.7 mt -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.406 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.15 -44.24 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.28999999999999998 109.688 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.81 -44.51 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.902 -0.59 . . . . 0.02 109.97 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.25 -46.45 88.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.79 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -60.55 -44.92 95.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.09 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.67 -43.11 99.46 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.121 -1.191 . . . . 0.0 110.121 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' B' ' 20' ' ' SER . 91.5 mm-40 -63.14 -44.11 96.46 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.68 -49.64 76.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.885 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.29 -46.92 88.15 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.6 p -55.78 -43.89 77.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.26 -42.01 98.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.733 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.34 -50.06 74.16 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -59.79 -40.73 89.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.725 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.69 95.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.73 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.63 89.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.68 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.44 ' HB2' HG23 ' B' ' 91' ' ' ILE . 55.9 tp -61.7 -44.96 95.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.346 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -55.88 -42.44 75.94 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.65 -41.66 99.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.918 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.41 95.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.649 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.71 -29.01 69.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.013 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.25 -4.1 51.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.356 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.24 14.16 69.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.09 78.93 2.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.773 0.32 . . . . 0.0 110.337 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.76 -34.6 78.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.613 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -49.34 75.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.008 0.433 . . . . 0.0 110.756 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.3 80.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.17 -47.91 82.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.73 -42.5 99.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.586 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.28 99.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.729 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 91.4 mmm -66.21 -40.01 90.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.569 ' HE1' HG23 ' B' ' 92' ' ' THR . 91.0 mtp -63.24 -41.46 99.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.559 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.96 -44.3 97.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.499 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.32 -40.95 98.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.316 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.6 p -61.49 -46.21 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.461 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.55 ' NH2' HH12 ' B' ' 88' ' ' ARG . 62.7 ttm-85 -60.39 -42.66 96.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.257 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 62.2 mtt -61.63 -43.28 99.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.309 0.576 . . . . 0.0 110.655 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.62 92.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.21 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' B' ' 18' ' ' ALA . 95.8 mt -65.49 -40.05 92.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.749 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.15 -42.27 98.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.37 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.73 -40.88 92.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.194 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.86 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.477 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -60.86 -38.72 86.54 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.089999999999999997 110.275 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 53' ' ' LEU . 36.1 mt -60.25 -44.58 95.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.3 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.456 ' HB ' HD21 ' B' ' 11' ' ' LEU . 76.0 t -65.49 -43.04 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.038 0.446 . . . . 0.0 110.016 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.459 ' OE1' HD13 ' B' ' 11' ' ' LEU . 47.2 tp60 -59.65 -45.84 90.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.277 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -54.27 -44.19 71.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.059999999999999998 109.96 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.56 -39.79 89.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.552 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.3 mt -65.25 -38.8 91.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.685 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 77.3 mt -72.43 -37.3 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.040000000000000001 110.787 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.747 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.6 ' O ' HG23 ' B' ' 75' ' ' VAL . 10.0 p . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 121.086 0.469 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.29 -45.12 94.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.554 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.557 HG13 HG21 ' B' ' 8' ' ' VAL . 77.0 t -62.98 -47.07 94.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.561 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.02 -40.85 97.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.062 0.458 . . . . 0.11 110.963 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 71' ' ' SER . 56.0 t -59.96 -47.8 90.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.77 -0.65 . . . . 0.38 110.275 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.676 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.3 t-80 -59.28 -46.24 89.07 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.9 -0.32 . . . . 1.1100000000000001 110.265 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.47 96.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.841 0.353 . . . . 0.059999999999999998 110.42 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.93 -40.68 98.35 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.147 -0.478 . . . . 1.0900000000000001 110.29 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 83' ' ' THR . 48.2 tp -56.83 -45.94 82.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.676 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 71.6 m-70 -67.05 -46.34 74.65 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.689 -0.404 . . . . 0.080000000000000002 110.726 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.68 -46.08 91.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.863 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.89 -43.47 98.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.293 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.476 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.7 p -63.6 -46.49 85.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.187 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 40.9 t -62.34 -48.64 78.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.637 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.71 -48.49 79.43 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.462 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.52 -44.28 97.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.146 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.25 80.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.927 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.55 HH12 ' NH2' ' B' ' 45' ' ' ARG . 76.3 ttt-85 -58.99 -45.53 90.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.276 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 98.0 mt-10 -60.54 -43.98 96.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.19 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.84 -41.92 97.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.152 0.501 . . . . 0.0 110.086 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' B' ' 22' ' ' ALA . 73.6 mt -60.56 -42.48 91.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.247 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.569 HG23 ' HE1' ' B' ' 41' ' ' MET . 69.7 m -56.94 -46.12 82.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.08 0.467 . . . . 0.0 109.916 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.466 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -62.98 -43.55 98.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.442 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.3 mt -59.73 -43.47 94.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.28 -42.97 95.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.545 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.16 -40.04 92.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.7 mt -62.17 -41.81 98.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.867 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.7 m80 -59.91 -39.79 86.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.811 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.74 -39.68 92.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.133 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.05 -37.63 88.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.188 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.414 179.843 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.585 ' O ' HG23 ' C' ' 8' ' ' VAL . 89.5 mt . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.595 0.235 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.84 -44.92 88.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.829 0.347 . . . . 1.9399999999999999 110.349 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.97 -35.25 79.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.336 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.7 -42.43 95.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.585 HG23 ' O ' ' C' ' 4' ' ' LEU . 98.6 t -61.07 -44.05 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.994 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mtp -58.47 -41.51 85.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.603 -0.517 . . . . 0.17999999999999999 109.603 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.52 98.97 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.46 HD21 ' HB ' ' C' ' 54' ' ' VAL . 33.5 mt -62.76 -43.45 98.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.905 0.383 . . . . 0.0 110.43 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.71 -44.38 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.29999999999999999 109.711 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.71 -44.19 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.016 -0.538 . . . . 0.02 110.045 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.48 -46.49 88.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.838 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -60.66 -44.82 96.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.153 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.57 -43.28 99.24 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.039 -1.225 . . . . 0.0 110.039 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . 0.504 ' O ' ' OG ' ' C' ' 20' ' ' SER . 91.2 mm-40 -63.23 -44.13 96.11 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.494 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.44 -50.08 74.99 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.24 -46.85 88.35 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.5 p -56.08 -43.63 78.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.41 -41.66 98.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.65 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.662 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.59 -50.02 74.48 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.425 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.3 m-85 -59.9 -41.09 90.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.538 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.67 94.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.778 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.1 89.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.594 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.436 ' HB2' HG23 ' C' ' 91' ' ' ILE . 55.9 tp -61.33 -45.11 95.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.79 -42.38 75.49 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.92 -41.3 99.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.89 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.21 95.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.756 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.32 -28.64 69.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.049 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -80.25 -4.09 51.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.448 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.22 14.15 69.62 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.01 78.7 2.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.741 0.305 . . . . 0.0 110.221 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.5 -34.99 79.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.538 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -49.18 76.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.041 0.448 . . . . 0.0 110.748 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.97 79.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.6 82.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.496 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.08 -42.17 98.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.571 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.91 99.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.747 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 91.7 mmm -65.53 -40.79 93.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.556 ' HE1' HG23 ' C' ' 92' ' ' THR . 91.1 mtp -62.61 -41.75 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.662 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.73 -44.5 96.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.454 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.98 -41.24 99.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.7 p -61.17 -46.45 90.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.51 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.532 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.7 ttm-85 -60.29 -42.4 95.41 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.324 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.91 -43.05 99.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.354 0.597 . . . . 0.0 110.516 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.09 92.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.354 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.494 HD21 ' CB ' ' C' ' 18' ' ' ALA . 96.1 mt -65.16 -40.52 94.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.1 -42.0 97.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.381 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.12 -40.46 90.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.09 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.63 -46.22 76.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.432 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.586 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 63.3 t-80 -60.72 -38.53 85.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 0.089999999999999997 110.311 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.1 mt -60.19 -44.52 95.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.46 ' HB ' HD21 ' C' ' 11' ' ' LEU . 75.2 t -65.47 -42.91 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.027 0.441 . . . . 0.0 109.97 178.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' C' ' 11' ' ' LEU . 47.0 tp60 -60.23 -45.2 94.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.911 HG21 HG22 ' D' ' 356' ' ' THR . 18.1 m -54.68 -43.92 72.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.059999999999999998 110.118 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -60.73 -39.61 89.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.517 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.47 -38.86 91.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.3 mt -72.17 -37.29 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.059999999999999998 110.822 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.532 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 mt . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 120.637 0.256 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.558 HG13 HG21 ' C' ' 8' ' ' VAL . 73.1 t -64.63 -47.54 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 130.182 3.393 . . . . 0.0 110.612 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.9 -40.64 91.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.2 -0.454 . . . . 0.11 110.997 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.32 -48.02 89.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.73 -0.668 . . . . 0.40000000000000002 110.22 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.656 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.3 t-80 -59.41 -46.39 88.83 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.938 -0.305 . . . . 1.02 110.275 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.51 96.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.93 0.395 . . . . 0.059999999999999998 110.434 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.77 -41.11 99.08 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0900000000000001 110.265 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.464 ' O ' HG23 ' C' ' 83' ' ' THR . 47.6 tp -56.33 -46.19 80.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.529 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.656 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 71.8 m-70 -66.97 -46.38 74.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.304 -0.407 . . . . 0.080000000000000002 110.802 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.53 -46.42 90.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.836 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.51 -43.38 98.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.395 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.464 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -63.74 -46.4 85.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.172 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.6 t -62.56 -48.35 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.94 -48.68 79.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 110.515 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.25 -44.35 97.4 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.173 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.06 -48.21 80.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.009 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.532 HH12 ' NH2' ' C' ' 45' ' ' ARG . 76.4 ttt-85 -59.2 -45.36 91.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.253 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.4 -44.22 95.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.936 0.398 . . . . 0.0 110.141 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.77 -42.15 97.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.123 0.487 . . . . 0.0 109.976 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.662 HD12 ' HB1' ' C' ' 22' ' ' ALA . 74.7 mt -60.3 -42.52 90.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.556 HG23 ' HE1' ' C' ' 41' ' ' MET . 68.8 m -57.03 -45.84 82.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.097 0.475 . . . . 0.0 109.993 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.34 -43.14 98.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.534 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.55 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.1 mt -59.91 -43.2 95.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.6 -43.04 96.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.528 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.95 -40.11 92.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.98 -42.31 98.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.899 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.55 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.6 m80 -59.48 -40.16 86.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.704 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.68 -39.33 91.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.142 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.98 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.221 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' C' ' 103' ' ' ALA . 42.0 mt -63.6 -40.58 97.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 58.83 -72.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.455 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' C' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.223 -0.329 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.536 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.929 0.871 . . . . 0.0 108.893 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.84 143.09 36.62 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.35 38.59 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.946 -1.096 . . . . 0.0 109.581 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.17 149.16 28.46 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.29 18.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.051 -1.031 . . . . 0.0 108.408 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.82 144.37 19.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.55 37.09 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 122.143 0.973 . . . . 0.0 110.119 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.38 25.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.9 -4.3 19.31 Favored 'General case' 0 C--N 1.266 -3.044 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.78 85.68 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 119.774 -1.829 . . . . 0.0 110.597 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.44 -47.74 12.66 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 124.71 3.607 . . . . 0.0 114.142 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.586 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 96.4 m-20 -102.1 27.56 6.53 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 116.076 -2.25 . . . . 0.0 108.81 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.36 -124.16 24.42 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 117.699 -2.191 . . . . 0.0 109.58 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.717 HD11 HD23 ' D' ' 384' ' ' LEU . 3.0 tp -129.71 81.24 2.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.939 -1.33 . . . . 0.0 109.568 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -85.95 176.61 7.96 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 117.933 -1.507 . . . . 0.0 112.09 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 67.0 p -25.68 -62.78 0.07 Allowed 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.563 HH21 ' NE2' ' A' ' 17' ' ' GLN . 18.0 ttt180 -51.4 -65.0 1.07 Allowed Pre-proline 0 N--CA 1.494 1.748 0 C-N-CA 120.096 -0.642 . . . . 0.0 112.514 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.61 -32.19 58.66 Favored 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 121.9 1.733 . . . . 0.0 111.495 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.508 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.84 86.75 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.16 -0.963 . . . . 0.0 109.524 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.508 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.92 -39.74 72.51 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.91 -39.48 94.26 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 118.003 -1.479 . . . . 0.0 109.459 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.68 -45.33 93.28 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 122.609 1.195 . . . . 0.0 108.66 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.61 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.9 t -62.61 -42.27 95.31 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.733 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.421 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 96.5 mttt -63.79 -40.35 96.44 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.794 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.58 79.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.446 -0.784 . . . . 0.0 109.586 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.0 91.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.582 -1.324 . . . . 0.0 109.427 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . 0.61 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.9 mttp -61.33 -16.25 44.02 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.293 -0.879 . . . . 0.0 113.31 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.62 86.06 Favored Glycine 0 N--CA 1.48 1.58 0 O-C-N 119.873 -1.767 . . . . 0.0 109.301 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.34 32.82 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.321 -1.694 . . . . 0.0 110.077 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.55 -30.12 59.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.243 -0.91 . . . . 0.0 112.361 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.65 158.57 9.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 119.819 -1.8 . . . . 0.0 112.857 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.37 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 102.861 -3.014 . . . . 0.0 102.861 171.194 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.62 60.27 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 CA-C-O 122.194 0.997 . . . . 0.0 109.316 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.4 m -124.94 143.12 51.04 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-O 123.125 1.44 . . . . 0.0 109.968 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.4 t -108.11 129.95 61.47 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.697 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 173.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.6 m -127.45 119.62 26.53 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.914 -1.116 . . . . 0.0 108.939 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.65 39.38 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.542 -0.723 . . . . 0.0 109.846 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.73 38.93 24.23 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.917 -1.114 . . . . 0.0 112.779 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 10.96 83.59 Favored Glycine 0 N--CA 1.501 2.979 0 O-C-N 119.982 -1.699 . . . . 0.0 112.63 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.85 136.18 54.58 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.74 158.51 33.09 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.743 1.735 . . . . 0.0 112.44 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.42 31.44 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 112.484 -2.143 . . . . 0.0 108.572 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.2 t -70.58 135.94 48.87 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 173.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.0 -6.71 47.25 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.681 -1.262 . . . . 0.0 110.766 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.55 13.04 31.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.698 -1.251 . . . . 0.0 109.396 -177.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 97.5 p -133.16 104.17 6.37 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.25 1.024 . . . . 0.0 110.148 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.412 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.0 tp -57.31 -37.78 73.01 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.943 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -58.88 -51.42 70.1 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.561 -1.337 . . . . 0.0 113.099 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.0 -32.41 70.58 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 119.561 -1.962 . . . . 0.0 109.272 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.79 -33.77 75.88 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 118.995 -1.082 . . . . 0.0 109.916 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.532 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.71 -10.36 51.79 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.607 -0.683 . . . . 0.0 109.942 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 37.6 p -89.79 -7.81 53.56 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 118.174 -1.41 . . . . 0.0 110.854 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.34 159.26 15.34 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.185 -0.947 . . . . 0.0 110.202 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.63 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 106.939 -2.464 . . . . 0.0 106.939 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 87.5 mt -119.55 47.39 1.72 Allowed 'General case' 0 C--N 1.309 -1.165 0 O-C-N 120.69 -1.477 . . . . 0.0 107.426 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.911 HG22 HG21 ' C' ' 56' ' ' THR . 4.6 p -81.45 172.57 13.36 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 118.843 -1.143 . . . . 0.0 109.22 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -60.74 140.97 57.37 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.835 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.19 79.11 Favored Glycine 0 N--CA 1.5 2.966 0 C-N-CA 120.069 -1.063 . . . . 0.0 111.38 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.45 136.0 34.02 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.959 -1.318 . . . . 0.0 110.629 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.8 t -96.59 123.68 48.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.15 160.08 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.271 0 C-N-CA 117.451 -1.7 . . . . 0.0 110.647 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.93 128.35 54.85 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 120.562 -1.336 . . . . 0.0 107.567 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.83 121.45 60.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.421 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.23 50.71 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.54 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.41 47.11 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 118.506 -1.278 . . . . 0.0 109.778 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.82 6.43 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 118.524 -1.27 . . . . 0.0 108.049 178.233 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.28 40.09 Favored Glycine 0 C--N 1.296 -1.654 0 C-N-CA 117.994 -2.051 . . . . 0.0 110.355 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.39 -40.62 82.86 Favored 'General case' 0 C--N 1.275 -2.634 0 CA-C-N 114.388 -0.906 . . . . 0.0 112.195 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.08 36.77 3.56 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 115.883 -2.327 . . . . 0.0 108.591 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.48 65.75 Favored 'General case' 0 N--CA 1.521 3.1 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -174.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.471 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.93 -45.66 27.03 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 119.481 -2.012 . . . . 0.0 110.953 -176.56 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.799 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.71 97.75 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.42 77.93 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 117.422 -1.711 . . . . 0.0 110.043 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.3 t -66.87 -42.22 88.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-O 122.204 1.002 . . . . 0.0 109.263 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.82 -47.94 76.3 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-O 122.109 0.956 . . . . 0.0 108.775 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.799 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.36 76.73 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.754 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' D' ' 377' ' ' LEU . 81.0 mt -75.54 -28.65 59.15 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.283 -1.51 . . . . 0.0 110.897 -174.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.49 70.99 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.413 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.16 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.15 84.53 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 119.009 -1.076 . . . . 0.0 110.546 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.37 -37.44 85.71 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.94 -1.1 . . . . 0.0 111.534 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.73 61.65 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.093 -1.004 . . . . 0.0 110.298 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.97 -32.28 45.27 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.454 -0.779 . . . . 0.0 111.282 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.717 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.05 125.52 12.32 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 124.367 2.032 . . . . 0.0 112.842 178.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.4 tt0 . . . . . 0 C--N 1.277 -2.562 0 CA-C-N 111.14 -2.754 . . . . 0.0 110.089 -177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 8' ' ' VAL . 57.2 mt . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.54 0.21 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -63.38 -48.79 76.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.905 0.383 . . . . 1.9399999999999999 110.256 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -68.0 -36.39 79.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.281 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.458 HG11 HD11 ' A' ' 58' ' ' LEU . 72.0 t -63.73 -43.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 4' ' ' LEU . 87.8 t -60.77 -44.84 98.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.993 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.22 -41.29 88.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.531 -0.544 . . . . 0.17999999999999999 109.531 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.1 -42.48 96.56 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 11' ' ' LEU . 34.4 mt -63.38 -42.89 98.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.156 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.12 -44.4 99.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.537 . . . . 0.20000000000000001 109.71 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' HD2' ' D' ' 324' ' ' LYS . 86.8 mt -63.82 -44.17 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.039 -0.528 . . . . 0.01 109.916 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.501 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 47.2 t-20 -60.34 -45.98 91.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.859 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p -61.15 -42.97 99.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.95 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.551 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.48 -43.65 97.85 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -61.94 -42.96 99.7 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.4 -49.12 78.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.891 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.88 -46.05 92.16 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -55.81 -44.25 77.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.97 -42.0 98.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.693 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.556 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.57 -48.16 80.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.397 0.618 . . . . 0.0 109.336 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -60.21 -41.76 93.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.64 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.65 95.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.768 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -43.16 88.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.648 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.4 -45.52 93.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.465 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -55.2 -43.25 74.23 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.5 mt-30 -61.55 -41.51 97.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.773 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.93 93.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.697 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.55 -28.98 69.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.109 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.32 -4.75 54.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.471 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.41 15.03 67.2 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -98.68 78.68 2.37 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.244 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -64.82 -34.73 79.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.678 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.35 79.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.069 0.461 . . . . 0.0 110.729 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -65.17 -35.21 80.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.321 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.69 82.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.62 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.71 -42.51 99.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.586 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.76 98.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.79 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.79 -42.11 91.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.482 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.581 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.8 mtm -63.77 -40.3 96.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.63 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.65 -44.77 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.978 0.418 . . . . 0.0 110.447 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -64.06 -40.87 97.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.167 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.4 t -61.21 -45.95 92.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.576 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -60.25 -42.04 94.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.38 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -61.95 -41.57 98.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.214 0.531 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.41 99.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.22 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.83 -39.76 91.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.642 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -60.92 -41.71 96.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.283 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.25 -39.72 93.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.215 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.29 -43.41 81.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.448 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -63.23 -37.94 89.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.089999999999999997 110.407 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.1 mt -61.18 -44.46 97.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.368 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.2 -43.58 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 0.0 109.972 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.753 HE21 ' NE2' ' A' ' 78' ' ' GLN . 1.0 OUTLIER -59.95 -42.81 94.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.273 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.582 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 82.2 m -57.49 -42.6 83.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.059999999999999998 110.006 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.68 -39.29 93.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.531 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.458 HD11 HG11 ' A' ' 7' ' ' VAL . 96.2 mt -62.96 -28.43 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.459 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 96.3 mt -86.0 -30.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.099 -0.5 . . . . 0.050000000000000003 110.858 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.513 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.3 p . . . . . 0 C--O 1.227 -0.128 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.2 -43.75 83.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.645 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.534 ' CG1' HG21 ' A' ' 8' ' ' VAL . 77.8 t -62.83 -45.08 99.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.882 0.372 . . . . 0.0 110.577 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.97 -38.85 90.08 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.009 0.433 . . . . 0.11 110.931 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 71' ' ' SER . 64.7 t -58.54 -47.38 88.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.762 -0.654 . . . . 0.38 110.182 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -57.36 -44.23 84.21 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.357 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.81 98.73 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.483 -0.326 . . . . 0.059999999999999998 110.602 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.753 ' NE2' HE21 ' A' ' 55' ' ' GLN . 92.8 mm-40 -61.28 -41.04 96.28 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.212 -0.449 . . . . 1.0900000000000001 110.16 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 83' ' ' THR . 47.4 tp -58.26 -44.4 88.36 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.447 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -68.1 -49.09 63.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.323 -0.398 . . . . 0.080000000000000002 110.738 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.65 -45.65 93.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.788 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.43 -43.3 99.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.165 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.3 p -64.26 -46.73 82.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.111 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -62.65 -49.95 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.472 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.43 -48.55 78.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.486 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.47 -44.79 96.48 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.066 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.08 82.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.825 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -58.1 -46.32 85.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.101 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -60.78 -43.56 97.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.012 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.39 -42.62 96.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.163 0.506 . . . . 0.0 109.882 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.556 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.2 mt -60.42 -42.32 90.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.289 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.9 m -57.89 -45.92 85.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.884 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.509 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.6 mt-10 -63.22 -42.64 99.29 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.27 -42.45 95.4 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.581 HD12 ' SD ' ' A' ' 41' ' ' MET . 84.7 mt -60.96 -43.04 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.501 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.27 -38.49 89.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.118 0.485 . . . . 0.0 109.712 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 97' ' ' LEU . 41.2 mt -62.22 -41.99 98.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.872 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -60.65 -40.05 90.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.36 -38.04 89.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.141 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -65.06 -40.39 94.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.188 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.418 179.722 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.728 ' O ' HG23 ' B' ' 8' ' ' VAL . 57.8 mt . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.583 0.23 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -63.32 -48.83 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.893 0.378 . . . . 1.9399999999999999 110.402 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.87 -36.33 80.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.219 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.479 HG11 HD11 ' B' ' 58' ' ' LEU . 73.2 t -63.89 -43.08 97.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.436 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.728 HG23 ' O ' ' B' ' 4' ' ' LEU . 88.2 t -60.8 -44.87 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.884 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.5 mtp -59.21 -41.35 88.4 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.563 -0.532 . . . . 0.17999999999999999 109.563 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.96 -42.64 96.74 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 11' ' ' LEU . 34.3 mt -63.38 -42.81 98.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 0.0 110.331 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.28 -44.2 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.28999999999999998 109.685 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.86 -44.24 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.02 109.941 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.49 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 47.9 t-20 -60.32 -45.93 91.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.852 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -61.05 -42.96 99.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.163 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.48 -43.29 98.38 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.18 -43.02 99.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.63 80.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.84 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.21 -45.67 93.6 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.6 m -56.21 -44.16 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.1 -41.74 98.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.737 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.84 -48.2 80.47 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.462 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.2 m-85 -60.09 -42.04 93.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.63 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.57 93.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.797 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.92 89.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.629 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.79 -45.4 94.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.379 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -55.54 -43.15 75.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.439 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.6 mt-30 -61.52 -40.89 96.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.852 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.64 96.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.675 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.87 -29.03 69.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.052 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.38 -4.8 54.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.65 14.94 66.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.55 78.79 2.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.76 0.314 . . . . 0.0 110.374 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -64.97 -34.74 79.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.606 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.45 79.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.111 0.481 . . . . 0.0 110.768 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.439 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.22 -34.82 79.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.422 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.73 81.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.529 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.51 -42.73 99.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.583 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.0 98.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.651 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.73 -42.27 91.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.589 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.5 mtm -63.64 -40.44 96.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.555 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.47 -44.77 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.923 0.392 . . . . 0.0 110.458 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.01 -40.73 97.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.297 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -61.65 -45.59 93.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.44 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -60.41 -41.95 94.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.248 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.92 -41.88 98.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.277 0.561 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.23 99.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.115 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 48' ' ' LEU . 91.0 mt -65.95 -39.67 90.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.728 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.01 -41.6 96.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.335 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.38 -39.69 92.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.49 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.39 -42.96 82.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.441 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.78 -37.67 88.24 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.089999999999999997 110.271 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 53' ' ' LEU . 40.3 mt -61.26 -44.25 97.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.371 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.68 -43.1 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.009 0.433 . . . . 0.0 110.044 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.775 HE21 ' NE2' ' B' ' 78' ' ' GLN . 1.0 OUTLIER -60.23 -42.72 95.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.227 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.569 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 86.3 m -57.68 -42.96 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.059999999999999998 110.009 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.26 -39.11 91.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.929 0.395 . . . . 0.0 110.562 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.479 HD11 HG11 ' B' ' 7' ' ' VAL . 96.2 mt -63.4 -28.04 69.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.757 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' NE2' ' B' ' 55' ' ' GLN . 96.4 mt -86.24 -30.7 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.546 . . . . 0.040000000000000001 110.746 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.58 179.856 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.497 ' O ' HG23 ' B' ' 75' ' ' VAL . 93.4 p . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 121.091 0.472 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.24 -43.24 92.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.548 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.515 ' CG1' HG21 ' B' ' 8' ' ' VAL . 79.2 t -62.46 -44.63 99.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.576 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.09 -38.47 88.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.122 0.487 . . . . 0.11 110.95 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 71' ' ' SER . 64.8 t -58.81 -47.19 90.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.804 -0.634 . . . . 0.38 110.302 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.467 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 11.5 t-160 -57.39 -44.21 84.3 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.863 -0.335 . . . . 1.1100000000000001 110.303 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.88 98.66 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.843 0.354 . . . . 0.059999999999999998 110.4 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.775 ' NE2' HE21 ' B' ' 55' ' ' GLN . 92.3 mm-40 -61.3 -40.82 95.58 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.0900000000000001 110.234 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 83' ' ' THR . 48.2 tp -58.54 -44.55 89.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.419 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.467 ' CE1' ' NE2' ' B' ' 76' ' ' HIS . 52.9 m170 -67.96 -48.77 64.95 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.732 -0.387 . . . . 0.080000000000000002 110.729 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.02 -45.46 93.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.879 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.43 -43.01 99.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.253 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.514 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.4 p -64.73 -46.26 82.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.49 -50.16 72.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.5 -48.53 79.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.486 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.5 -44.51 96.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.067 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.97 83.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.893 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -58.36 -46.0 87.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.225 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.44 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.3 mt-10 -60.89 -43.56 98.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.167 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.37 -42.56 96.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.188 0.518 . . . . 0.0 110.003 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.576 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.2 mt -60.58 -42.48 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.251 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -57.64 -46.0 84.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.099 0.476 . . . . 0.0 109.842 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.518 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.6 mt-10 -63.29 -42.35 99.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.456 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.509 HD13 ' OE1' ' A' ' 93' ' ' GLU . 79.5 mt -60.44 -42.72 96.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.589 HD12 ' SD ' ' B' ' 41' ' ' MET . 85.8 mt -60.8 -43.0 94.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.533 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.12 -38.69 89.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.721 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 97' ' ' LEU . 40.4 mt -62.27 -41.73 98.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.797 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -60.79 -39.98 90.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.732 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.24 -38.49 91.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.1 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.79 -40.22 94.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.149 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.396 179.753 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.735 ' O ' HG23 ' C' ' 8' ' ' VAL . 57.1 mt . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.619 0.247 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -63.21 -49.03 75.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.816 0.341 . . . . 1.9399999999999999 110.382 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.5 -36.59 81.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.334 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.474 HG11 HD11 ' C' ' 58' ' ' LEU . 71.6 t -63.57 -42.83 97.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.735 HG23 ' O ' ' C' ' 4' ' ' LEU . 86.8 t -61.27 -44.61 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.972 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.7 mtp -59.59 -41.04 89.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.562 -0.533 . . . . 0.17999999999999999 109.562 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.16 -42.62 96.36 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' C' ' 11' ' ' LEU . 34.6 mt -63.12 -43.05 99.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 110.34 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.15 -44.34 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.29999999999999999 109.699 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.51 -44.33 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.02 110.055 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.502 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 47.9 t-20 -60.17 -46.35 89.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.818 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.0 p -60.6 -43.07 97.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.176 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.45 -43.7 97.81 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -61.92 -42.94 99.67 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -49.03 78.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.784 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -61.12 -45.57 94.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -56.33 -44.49 80.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.58 -41.67 97.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.709 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.82 -48.28 80.2 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.44 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.5 m-85 -60.25 -41.85 94.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.567 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.38 94.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.72 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.94 89.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.616 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.67 -45.28 94.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.468 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -55.68 -43.1 76.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.539 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.6 mt-30 -61.66 -40.62 95.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.182 0.515 . . . . 0.0 110.025 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.75 96.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.796 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.97 -28.91 69.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.07 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.32 -4.64 54.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.453 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.36 15.0 67.38 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.7 78.15 2.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.752 0.31 . . . . 0.0 110.223 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -64.34 -35.08 79.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.56 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.22 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.067 0.461 . . . . 0.0 110.745 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . 0.445 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.36 -34.37 78.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.43 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.58 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.491 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.28 -43.23 99.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.557 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.11 -41.82 99.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mmm -65.81 -42.14 91.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.567 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.1 mtm -63.79 -40.56 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.68 -44.51 96.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.441 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.98 -40.97 97.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.273 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 42.7 t -61.52 -45.32 94.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -60.64 -41.82 95.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.281 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.02 -41.82 98.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.384 0.611 . . . . 0.0 110.552 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.65 99.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.316 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 48' ' ' LEU . 91.5 mt -65.64 -39.89 91.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.04 -41.52 96.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.379 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.24 -40.08 93.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 109.963 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.502 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.99 -43.46 82.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.467 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.14 -37.75 88.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.089999999999999997 110.332 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -61.61 -43.92 97.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.317 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.76 -43.26 93.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.056 0.455 . . . . 0.0 109.99 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.75 HE21 ' NE2' ' C' ' 78' ' ' GLN . 1.1 tm0? -60.29 -42.8 96.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.223 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.967 HG21 HG22 ' D' ' 356' ' ' THR . 90.1 m -57.6 -42.5 83.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.059999999999999998 110.161 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.78 -38.98 92.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.911 0.386 . . . . 0.0 110.529 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.474 HD11 HG11 ' C' ' 7' ' ' VAL . 96.3 mt -63.33 -27.97 69.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.79 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.462 ' CD1' ' NE2' ' C' ' 55' ' ' GLN . 96.3 mt -86.29 -30.73 6.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.569 . . . . 0.059999999999999998 110.863 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.519 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.7 mm-40 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.44 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tt . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.585 0.231 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.479 ' CG1' HG21 ' C' ' 8' ' ' VAL . 76.8 t -63.16 -44.87 99.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 130.111 3.364 . . . . 0.0 110.532 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.15 -38.6 91.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.086 0.47 . . . . 0.11 110.979 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 65.7 t -58.82 -47.74 88.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.842 -0.617 . . . . 0.40000000000000002 110.203 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.459 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 11.3 t-160 -57.58 -43.89 84.92 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.907 -0.317 . . . . 1.02 110.388 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.09 98.58 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.371 . . . . 0.059999999999999998 110.384 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.75 ' NE2' HE21 ' C' ' 55' ' ' GLN . 92.3 mm-40 -61.07 -41.03 95.86 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.301 -0.409 . . . . 1.0900000000000001 110.258 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.522 ' O ' HG23 ' C' ' 83' ' ' THR . 46.0 tp -58.13 -44.59 87.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.483 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.459 ' CE1' ' NE2' ' C' ' 76' ' ' HIS . 52.5 m170 -68.13 -48.74 64.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.292 -0.413 . . . . 0.080000000000000002 110.764 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.95 -45.51 93.33 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.809 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.3 mmm -61.36 -43.27 99.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.377 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.522 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.9 p -64.25 -46.85 81.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.255 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.16 -50.29 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.553 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.3 -48.7 78.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.489 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.24 -44.86 96.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.157 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.11 82.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.944 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -58.23 -45.99 86.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.282 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.61 -43.77 97.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.195 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.41 -42.63 95.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.199 0.523 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.576 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.2 mt -60.36 -42.64 91.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.375 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 87.1 m -57.39 -46.11 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.102 0.477 . . . . 0.0 109.996 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.22 -42.65 99.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.501 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.518 HD13 ' OE1' ' B' ' 93' ' ' GLU . 79.5 mt -60.04 -42.62 94.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.567 HD12 ' SD ' ' C' ' 41' ' ' MET . 84.4 mt -60.91 -43.14 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.624 179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.9 -38.58 88.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.746 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' C' ' 97' ' ' LEU . 40.4 mt -62.28 -41.65 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.869 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -60.95 -39.98 91.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' C' ' 102' ' ' LYS . 84.0 tt0 -63.29 -38.58 91.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.052 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.49 -40.29 95.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.233 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.88 -42.38 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.361 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.4 mttt -91.02 145.04 25.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.457 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.559 179.885 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 121.892 0.853 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.85 142.98 36.55 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.28 38.56 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.07 -1.019 . . . . 0.0 109.586 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.3 mm-40 -152.14 149.22 28.54 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.3 152.34 18.98 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.012 -1.055 . . . . 0.0 108.368 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.41 19.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.78 136.54 37.18 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.146 0.974 . . . . 0.0 110.104 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.93 114.26 24.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.87 -4.25 19.42 Favored 'General case' 0 C--N 1.265 -3.088 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.82 85.81 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 119.685 -1.884 . . . . 0.0 110.597 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.52 -47.68 12.92 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 124.734 3.623 . . . . 0.0 114.156 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.11 27.52 6.57 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 116.047 -2.261 . . . . 0.0 108.829 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.61 -126.97 28.14 Favored Glycine 0 N--CA 1.497 2.745 0 C-N-CA 117.611 -2.233 . . . . 0.0 109.537 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.756 HD11 HD23 ' D' ' 384' ' ' LEU . 3.5 tp -127.7 78.08 1.8 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.985 -1.303 . . . . 0.0 109.501 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.41 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.6 OUTLIER -85.38 177.12 7.91 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 117.899 -1.521 . . . . 0.0 112.124 -179.02 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 41.1 p -23.02 -70.47 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.551 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.6 ttt-85 -45.97 -65.83 0.61 Allowed Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.444 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.1 -32.17 64.19 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.95 1.767 . . . . 0.0 111.53 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.499 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.87 86.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.225 -0.922 . . . . 0.0 109.471 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.68 72.49 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.91 -39.39 94.07 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.034 -1.467 . . . . 0.0 109.493 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.7 -45.31 93.36 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.662 1.22 . . . . 0.0 108.683 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.609 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 58.6 t -62.67 -42.3 95.54 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.624 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.402 ' HD2' HD13 ' A' ' 13' ' ' ILE . 76.7 mttt -63.85 -40.23 96.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.204 -0.935 . . . . 0.0 109.818 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.526 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.75 -39.75 80.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.508 -0.745 . . . . 0.0 109.547 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.0 91.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.598 -1.314 . . . . 0.0 109.393 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . 0.609 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.6 mttp -61.33 -16.26 44.16 Favored 'General case' 0 N--CA 1.511 2.575 0 O-C-N 121.32 -0.862 . . . . 0.0 113.313 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.53 86.06 Favored Glycine 0 N--CA 1.479 1.526 0 O-C-N 119.921 -1.737 . . . . 0.0 109.41 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.422 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.52 143.37 32.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.241 -1.74 . . . . 0.0 109.984 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.5 p -75.68 -30.03 59.23 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.267 -0.895 . . . . 0.0 112.275 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.71 158.48 10.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.826 -1.796 . . . . 0.0 112.834 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.585 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.2 35.34 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 102.878 -3.008 . . . . 0.0 102.878 171.221 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.67 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.435 0 O-C-N 121.107 -0.996 . . . . 0.0 109.313 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.98 143.18 51.03 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-O 123.095 1.426 . . . . 0.0 109.979 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.1 t -108.02 129.96 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 173.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.4 m -127.54 119.54 26.23 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.894 -1.128 . . . . 0.0 108.928 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.55 39.16 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 119.941 -0.703 . . . . 0.0 109.966 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.82 38.9 24.49 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.895 -1.128 . . . . 0.0 112.7 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.76 10.95 83.52 Favored Glycine 0 N--CA 1.503 3.123 0 O-C-N 119.975 -1.703 . . . . 0.0 112.515 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.84 136.26 54.55 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.8 158.55 33.08 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.805 1.764 . . . . 0.0 112.335 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.35 31.33 Favored 'General case' 0 C--N 1.279 -2.459 0 CA-C-N 112.453 -2.158 . . . . 0.0 108.598 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.57 135.98 48.91 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.434 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.02 -6.79 47.81 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.697 -1.252 . . . . 0.0 110.686 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.5 13.0 31.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.614 -1.304 . . . . 0.0 109.391 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.6 t -133.08 104.18 6.39 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.208 1.004 . . . . 0.0 110.152 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.24 -37.92 73.01 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.006 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -58.82 -51.45 69.94 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.63 -1.294 . . . . 0.0 113.034 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.54 70.77 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 119.505 -1.997 . . . . 0.0 109.178 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.72 -33.69 75.64 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.002 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.519 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.78 -10.37 52.18 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.657 -0.652 . . . . 0.0 109.932 -177.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.0 p -89.82 -7.73 53.68 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 118.081 -1.448 . . . . 0.0 110.937 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.6 mt -93.31 159.34 15.31 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.226 -0.921 . . . . 0.0 110.215 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 106.927 -2.469 . . . . 0.0 106.927 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . 0.44 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.2 mt -119.57 47.38 1.72 Allowed 'General case' 0 C--N 1.308 -1.202 0 O-C-N 120.703 -1.469 . . . . 0.0 107.343 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.967 HG22 HG21 ' C' ' 56' ' ' THR . 72.1 p -81.4 172.48 13.49 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.274 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.63 140.88 57.26 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.936 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.22 79.09 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 120.024 -1.084 . . . . 0.0 111.411 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.41 135.86 34.1 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.957 -1.319 . . . . 0.0 110.698 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.42 123.73 48.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.1 m -112.18 160.09 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 117.404 -1.718 . . . . 0.0 110.614 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.88 128.44 54.92 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.506 -1.371 . . . . 0.0 107.58 175.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.84 121.44 60.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 176.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.22 50.72 Favored 'General case' 0 C--N 1.284 -2.248 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.36 47.14 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.556 -1.258 . . . . 0.0 109.769 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.78 6.43 Favored 'General case' 0 C--N 1.288 -2.066 0 C-N-CA 118.57 -1.252 . . . . 0.0 108.025 178.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.39 40.14 Favored Glycine 0 C--N 1.295 -1.703 0 C-N-CA 118.023 -2.036 . . . . 0.0 110.359 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.27 -40.65 82.43 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 114.388 -0.906 . . . . 0.0 112.243 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.03 36.81 3.53 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 115.856 -2.337 . . . . 0.0 108.555 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.27 -33.66 65.7 Favored 'General case' 0 N--CA 1.522 3.157 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.467 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.57 27.58 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.624 -1.922 . . . . 0.0 111.003 -176.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.811 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.79 98.01 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.51 77.6 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 117.468 -1.693 . . . . 0.0 110.037 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.87 -42.2 88.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.223 1.011 . . . . 0.0 109.275 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.87 -47.96 76.41 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-O 122.083 0.944 . . . . 0.0 108.68 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.811 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.84 -38.22 76.44 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.686 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.5 mt -75.62 -28.65 58.92 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.404 -1.435 . . . . 0.0 110.859 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.59 71.45 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.455 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.84 -49.33 62.76 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.526 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.21 -45.18 84.06 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.044 -1.062 . . . . 0.0 110.56 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.35 85.42 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.877 -1.139 . . . . 0.0 111.545 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.88 61.71 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.041 -1.037 . . . . 0.0 110.27 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.81 -32.39 46.27 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.459 -0.776 . . . . 0.0 111.325 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.756 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.09 125.41 12.15 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 124.327 2.013 . . . . 0.0 112.874 178.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.8 mt-10 . . . . . 0 C--N 1.278 -2.527 0 CA-C-N 111.11 -2.768 . . . . 0.0 110.155 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 8' ' ' VAL . 57.8 mt . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.42 -47.25 79.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.948 0.404 . . . . 1.9399999999999999 110.314 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.56 -35.5 80.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.284 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.32 -42.4 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 4' ' ' LEU . 88.3 t -60.4 -44.27 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.947 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.8 -41.77 87.52 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.534 -0.543 . . . . 0.17999999999999999 109.534 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.94 -42.1 98.43 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.93 -42.59 99.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.869 0.366 . . . . 0.0 110.242 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.09 -43.92 99.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.02 -0.536 . . . . 0.20000000000000001 109.763 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.433 HD11 ' HB1' ' D' ' 320' ' ' ALA . 86.1 mt -63.53 -43.98 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.004 -0.544 . . . . 0.01 109.967 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -60.81 -45.61 93.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.751 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -60.58 -43.95 96.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.946 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.571 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.11 -42.71 99.45 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.19 -43.11 99.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.575 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.09 -49.49 76.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -60.49 -45.82 92.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -55.51 -44.49 76.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.32 -42.5 98.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.651 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.557 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.5 -50.33 74.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.7 -41.83 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.607 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.87 95.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -42.51 80.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.68 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.85 -44.91 96.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.457 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.4 -41.46 76.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.18 -43.67 98.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.831 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.61 93.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.647 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' NZ ' ' NE2' ' A' ' 98' ' ' HIS . 69.2 mmtt -61.11 -29.52 69.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.188 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -82.0 -3.89 55.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.497 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.91 15.93 73.86 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -96.79 81.11 3.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.78 0.324 . . . . 0.0 110.292 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -64.6 -34.95 79.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.669 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.51 83.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.032 0.444 . . . . 0.0 110.754 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.85 81.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.388 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.62 79.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.576 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -61.7 -42.59 99.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.638 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.52 99.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.8 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -64.86 -40.68 95.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.2 mmt -62.02 -41.49 98.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.665 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.48 -43.61 98.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.4 . . . . 0.0 110.493 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -65.36 -41.26 94.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.172 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.77 -46.23 90.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -60.62 -42.04 96.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.316 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.38 -43.66 98.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.233 0.539 . . . . 0.0 110.608 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.05 97.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.25 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.575 HD21 ' CB ' ' A' ' 18' ' ' ALA . 87.5 mt -64.7 -40.5 95.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.609 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.414 HD22 ' HA ' ' A' ' 49' ' ' ASN . 8.1 m120 -61.05 -41.85 97.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.267 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.67 -40.61 92.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.187 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.3 78.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.501 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -60.7 -39.29 87.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.089999999999999997 110.345 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.6 mt -60.4 -44.29 95.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.341 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.57 -43.27 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.096 0.474 . . . . 0.0 110.037 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.676 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -59.67 -44.44 93.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.241 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -56.75 -42.5 79.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.059999999999999998 110.107 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.57 -38.95 89.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.496 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.78 -32.7 74.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.687 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.614 HD11 ' OE1' ' A' ' 55' ' ' GLN . 76.8 mt -77.3 -32.23 18.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.033 -0.53 . . . . 0.050000000000000003 110.864 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.587 ' O ' HG23 ' A' ' 75' ' ' VAL . 87.1 p . . . . . 0 C--O 1.226 -0.133 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 72' ' ' LEU . 35.2 mt -57.4 -45.94 84.02 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.609 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.563 HG13 HG21 ' A' ' 8' ' ' VAL . 72.1 t -64.24 -47.44 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-O 120.946 0.403 . . . . 0.0 110.621 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.676 ' CD2' HE22 ' A' ' 55' ' ' GLN . 83.3 mt -63.66 -42.08 98.12 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.168 -0.469 . . . . 0.11 110.903 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 71' ' ' SER . 53.5 t -59.86 -47.54 91.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.735 -0.666 . . . . 0.38 110.285 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -59.09 -45.5 90.68 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.294 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.81 94.77 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.752 0.311 . . . . 0.059999999999999998 110.682 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.43 -40.06 95.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 1.0900000000000001 110.156 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 83' ' ' THR . 46.8 tp -56.42 -47.48 78.95 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.406 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -67.95 -46.24 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 0.080000000000000002 110.716 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.6 mt -60.74 -46.52 90.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.82 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.52 -42.71 99.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.205 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.5 p -64.35 -46.63 82.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.058 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.14 -49.41 75.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.49 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -58.05 -47.59 82.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.505 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.98 -44.6 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.058 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.4 80.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.82 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -58.06 -45.26 87.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.088 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.486 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -61.7 -43.62 98.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.04 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.22 -43.08 92.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.193 0.521 . . . . 0.0 109.861 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.557 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.2 mt -60.84 -42.59 93.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.249 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -57.95 -45.57 86.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 109.876 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.552 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.3 mt-10 -64.14 -43.49 95.05 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 70.8 mt -59.15 -43.83 92.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.0 -42.69 94.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.47 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.92 -40.43 93.13 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.29 -42.25 99.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.86 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.571 ' NE2' ' NZ ' ' A' ' 30' ' ' LYS . 67.4 m80 -60.2 -39.88 88.12 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -61.84 -40.96 97.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.214 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.57 -38.01 88.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.217 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.448 -179.779 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.613 ' O ' HG23 ' B' ' 8' ' ' VAL . 59.0 mt . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.557 0.218 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.3 -47.13 80.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.94 0.4 . . . . 1.9399999999999999 110.387 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.49 -35.64 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.229 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.39 -42.12 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.32 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.613 HG23 ' O ' ' B' ' 4' ' ' LEU . 85.7 t -60.69 -44.35 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.863 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.85 -41.96 88.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.55 -0.537 . . . . 0.17999999999999999 109.55 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.78 -42.08 98.66 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.89 -42.63 99.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 110.375 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.18 -44.01 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.52 . . . . 0.28999999999999998 109.646 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.27 -44.19 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.02 109.999 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.84 -45.36 94.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.822 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -60.45 -44.15 96.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.135 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.27 -42.15 99.36 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.55 -43.05 98.2 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.582 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.06 -49.16 77.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.934 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.471 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 77.2 ttt180 -60.68 -45.73 93.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -55.78 -44.33 77.62 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.19 -42.57 99.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.565 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.77 -50.15 74.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.486 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 7.8 m-85 -59.64 -41.95 91.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.705 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.94 95.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.671 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.26 80.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.675 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.05 -45.04 96.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.34 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.48 -41.17 76.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.47 -43.2 99.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.855 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.55 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.65 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.604 ' NZ ' ' NE2' ' B' ' 98' ' ' HIS . 69.3 mmtt -60.96 -29.88 69.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.059 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.95 -3.8 55.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.397 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.63 15.92 74.57 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.48 80.86 3.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.813 0.339 . . . . 0.0 110.356 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -64.4 -35.15 79.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.59 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.66 83.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.015 0.436 . . . . 0.0 110.789 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.65 81.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.398 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.56 78.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -61.52 -43.1 99.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.43 99.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.5 mmm -65.05 -40.58 94.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.555 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.0 mmt -62.17 -41.6 98.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.587 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.36 -43.8 97.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.463 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.11 -41.39 94.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.249 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.7 -46.61 88.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.471 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -60.14 -42.16 94.25 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.304 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 54.3 ttp -61.17 -43.67 98.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.282 0.563 . . . . 0.0 110.688 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.63 96.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.099 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.582 HD21 ' CB ' ' B' ' 18' ' ' ALA . 87.6 mt -64.94 -40.24 94.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.767 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.25 -41.73 97.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.385 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.48 -41.01 93.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.152 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.75 -45.33 78.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.493 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.72 -39.34 88.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.089999999999999997 110.223 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.2 mt -60.44 -44.04 96.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.318 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.0 -43.18 92.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.011 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.681 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.1 OUTLIER -59.47 -44.71 92.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.196 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.67 -42.61 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.059999999999999998 109.933 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.41 -39.05 89.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.932 0.396 . . . . 0.0 110.593 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.75 -32.73 74.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.61 HD11 ' OE1' ' B' ' 55' ' ' GLN . 77.9 mt -77.31 -32.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.5 . . . . 0.040000000000000001 110.737 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.583 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.612 ' O ' HG23 ' B' ' 75' ' ' VAL . 96.2 p . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 121.053 0.454 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 72' ' ' LEU . 39.0 mt -59.7 -45.59 91.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.504 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.563 HG13 HG21 ' B' ' 8' ' ' VAL . 76.4 t -63.75 -46.57 94.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.763 0.316 . . . . 0.0 110.63 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.681 ' CD2' HE22 ' B' ' 55' ' ' GLN . 83.5 mt -64.13 -41.19 97.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.11 110.948 -179.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 71' ' ' SER . 53.2 t -60.71 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.849 -0.614 . . . . 0.38 110.264 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.454 ' CE1' ' CE1' ' B' ' 80' ' ' HIS . 54.4 t-80 -59.47 -45.52 91.41 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.841 -0.344 . . . . 1.1100000000000001 110.367 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.55 96.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.945 0.403 . . . . 0.059999999999999998 110.414 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -62.84 -40.14 96.52 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0900000000000001 110.238 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 83' ' ' THR . 48.1 tp -56.8 -46.64 81.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.398 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.454 ' CE1' ' CE1' ' B' ' 76' ' ' HIS . 43.1 m80 -68.43 -46.15 70.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.383 -0.371 . . . . 0.080000000000000002 110.681 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.97 -46.3 91.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.856 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.69 -42.59 99.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.268 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.9 p -64.25 -46.84 81.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.16 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -61.9 -49.59 75.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.61 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.76 -48.04 80.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.468 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.82 -44.31 97.1 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.175 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.69 84.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.891 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -58.4 -45.5 88.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.285 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.481 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.8 mt-10 -61.28 -43.92 98.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.143 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.95 -43.03 94.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 109.963 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.565 HD12 ' HB1' ' B' ' 22' ' ' ALA . 75.9 mt -60.87 -42.36 92.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.238 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -58.12 -46.05 86.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.077 0.465 . . . . 0.0 109.854 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.558 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.58 -43.74 96.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.414 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.552 HD13 ' OE1' ' A' ' 93' ' ' GLU . 71.9 mt -58.8 -43.96 90.65 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.02 -42.87 94.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.564 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.53 -40.45 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.54 -42.49 99.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.801 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.604 ' NE2' ' NZ ' ' B' ' 30' ' ' LYS . 67.2 m80 -59.74 -40.33 87.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.788 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -40.87 96.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.156 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.78 -38.12 88.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.133 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 38.9 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.325 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.628 ' O ' HG23 ' C' ' 8' ' ' VAL . 56.9 mt . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.592 0.234 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.41 -47.16 80.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.803 0.335 . . . . 1.9399999999999999 110.348 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.47 -35.68 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.323 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.09 -42.55 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.365 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.628 HG23 ' O ' ' C' ' 4' ' ' LEU . 89.8 t -60.21 -44.56 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.013 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.78 -41.49 86.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.621 -0.511 . . . . 0.17999999999999999 109.621 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -41.96 98.06 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.98 -42.34 99.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.343 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.45 -44.06 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.29999999999999999 109.629 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.17 -44.06 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.02 110.1 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.96 -45.28 95.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.784 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.7 -44.01 97.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.165 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -42.27 99.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -63.69 -42.61 97.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.848 -0.426 . . . . 0.0 109.848 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.56 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.44 -49.54 76.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.747 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.481 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 77.3 ttt180 -60.37 -46.11 91.12 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -55.43 -44.68 76.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.77 -42.74 99.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.68 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.578 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.48 -50.51 73.63 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.455 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 7.9 m-85 -59.46 -41.88 90.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.531 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.2 95.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.736 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.08 85.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.576 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.84 -44.88 96.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.404 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.78 -41.12 77.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.59 -43.36 99.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.168 0.509 . . . . 0.0 109.879 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.77 94.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.775 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . 0.606 ' NZ ' ' NE2' ' C' ' 98' ' ' HIS . 69.3 mmtt -60.97 -29.82 69.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.1 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.7 -3.84 54.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.513 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.75 16.22 73.51 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.85 81.1 3.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -64.64 -34.92 79.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.483 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.64 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.1 0.476 . . . . 0.0 110.672 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.66 81.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.371 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.56 -48.74 78.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -61.52 -42.76 99.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.576 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.74 99.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -64.77 -40.84 95.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 11.1 mmt -61.87 -41.79 98.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.572 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.49 -43.65 98.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.42 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -64.99 -41.97 94.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.292 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.21 -46.56 89.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.604 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -60.31 -42.1 94.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.338 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 54.2 ttp -61.06 -43.91 98.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.36 0.6 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.97 97.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.359 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.56 HD21 ' CB ' ' C' ' 18' ' ' ALA . 87.0 mt -64.55 -40.36 95.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.708 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.46 -41.69 97.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.43 -41.05 93.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.033 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.64 78.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.436 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.647 ' CD2' HD22 ' D' ' 312' ' ' ASN . 84.0 t60 -60.46 -39.32 87.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.048 -0.523 . . . . 0.089999999999999997 110.307 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.52 -44.03 96.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.297 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.77 -43.45 93.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.096 0.474 . . . . 0.0 109.963 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.707 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.1 OUTLIER -59.42 -44.82 92.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.245 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.887 HG21 HG22 ' D' ' 356' ' ' THR . 18.9 m -56.59 -42.32 78.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.303 -0.408 . . . . 0.059999999999999998 110.177 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.66 -39.04 89.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.509 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 58' ' ' LEU . 99.1 mt -63.42 -32.74 74.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.611 HD11 ' OE1' ' C' ' 55' ' ' GLN . 76.8 mt -77.49 -32.24 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.053 -0.521 . . . . 0.059999999999999998 110.829 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.602 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 76.0 mm-40 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 120.683 0.277 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.567 HG13 HG21 ' C' ' 8' ' ' VAL . 79.0 t -64.63 -47.51 88.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 130.104 3.362 . . . . 0.0 110.621 -178.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.707 ' CD2' HE22 ' C' ' 55' ' ' GLN . 86.3 mt -65.57 -41.46 92.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.101 0.477 . . . . 0.11 110.982 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.61 -47.91 90.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.806 -0.634 . . . . 0.40000000000000002 110.177 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.452 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 54.5 t-80 -59.17 -45.66 90.43 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.835 -0.346 . . . . 1.02 110.352 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.66 95.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.873 0.368 . . . . 0.059999999999999998 110.377 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.6 -40.15 96.01 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.229 -0.442 . . . . 1.0900000000000001 110.242 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' C' ' 83' ' ' THR . 47.7 tp -56.65 -47.13 80.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.472 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.452 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 43.4 m80 -68.0 -46.4 71.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.361 -0.381 . . . . 0.080000000000000002 110.717 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.8 mt -60.83 -46.17 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.81 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.88 -42.25 98.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.358 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -64.62 -46.78 81.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.143 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 10.9 t -62.12 -49.31 76.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.574 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.74 -48.09 80.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.496 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.82 -44.38 96.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.113 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.22 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.926 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -57.8 -45.72 85.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.29 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.16 -43.77 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.174 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.23 -43.11 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.193 0.52 . . . . 0.0 109.983 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.578 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.0 mt -60.53 -42.51 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.438 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 75.1 m -58.21 -45.73 87.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 0.0 110.031 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.82 -43.38 96.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.468 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.558 HD13 ' OE1' ' B' ' 93' ' ' GLU . 72.0 mt -59.03 -43.91 91.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.279 0.561 . . . . 0.0 109.498 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.01 -42.68 93.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.526 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.78 -40.34 92.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.45 -42.62 99.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.881 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.606 ' NE2' ' NZ ' ' C' ' 30' ' ' LYS . 67.4 m80 -59.71 -40.31 87.54 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.746 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.525 ' O ' ' O ' ' C' ' 102' ' ' LYS . 84.1 tt0 -61.63 -40.74 95.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.107 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.8 -38.31 88.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.17 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.84 -43.11 97.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.399 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . 0.525 ' O ' ' O ' ' C' ' 99' ' ' GLU . 54.4 mtmt -95.97 142.15 28.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.384 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.526 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 121.869 0.842 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 143.02 36.73 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.32 38.6 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.025 -1.047 . . . . 0.0 109.564 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.4 18.88 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.054 -1.028 . . . . 0.0 108.386 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.92 144.32 19.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.68 136.54 37.07 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 122.155 0.979 . . . . 0.0 110.197 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.89 114.27 24.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.2 p -106.92 -4.23 19.35 Favored 'General case' 0 C--N 1.265 -3.071 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.78 85.69 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 119.675 -1.891 . . . . 0.0 110.636 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -45.54 -47.61 13.06 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 124.734 3.622 . . . . 0.0 114.086 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.647 HD22 ' CD2' ' C' ' 52' ' ' HIS . 11.2 m120 -102.17 27.5 6.62 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 116.127 -2.229 . . . . 0.0 108.77 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.24 -123.95 21.71 Favored Glycine 0 N--CA 1.495 2.605 0 C-N-CA 117.718 -2.182 . . . . 0.0 109.633 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.749 HD11 HD23 ' D' ' 384' ' ' LEU . 3.4 tp -132.08 76.31 1.69 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.924 -1.339 . . . . 0.0 109.521 -176.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 174.14 10.74 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 117.894 -1.522 . . . . 0.0 112.14 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.1 p -21.99 -69.41 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.571 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 24.5 ttt-85 -44.23 -66.41 0.47 Allowed Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 120.172 -0.611 . . . . 0.0 112.493 -177.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.58 -32.22 58.88 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 C-N-CA 121.675 1.583 . . . . 0.0 111.507 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.493 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.88 -38.89 87.16 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.21 -0.931 . . . . 0.0 109.526 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.433 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.92 -39.74 72.52 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.98 -39.36 93.95 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 117.995 -1.482 . . . . 0.0 109.494 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.35 93.19 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.572 1.177 . . . . 0.0 108.646 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.493 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.2 t -62.65 -42.22 95.21 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.674 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -63.95 -40.25 96.0 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.281 -0.887 . . . . 0.0 109.734 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.76 80.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.43 -0.794 . . . . 0.0 109.586 177.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.94 -44.07 91.3 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.752 -1.217 . . . . 0.0 109.445 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.33 -16.15 43.06 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.52 86.15 Favored Glycine 0 N--CA 1.479 1.545 0 O-C-N 119.94 -1.725 . . . . 0.0 109.342 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.5 143.33 32.87 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.271 -1.723 . . . . 0.0 109.995 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.57 -30.05 59.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.227 -0.921 . . . . 0.0 112.353 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.54 10.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 119.818 -1.801 . . . . 0.0 112.829 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.2 35.31 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 102.832 -3.025 . . . . 0.0 102.832 171.223 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.392 0 O-C-N 121.096 -1.002 . . . . 0.0 109.361 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.3 m -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-O 123.094 1.426 . . . . 0.0 109.9 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.9 t -108.12 129.89 61.58 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.701 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.6 m -127.39 119.58 26.51 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.86 -1.15 . . . . 0.0 108.96 -178.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.0 t -122.59 122.58 39.18 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.591 -0.693 . . . . 0.0 109.898 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.78 38.91 24.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.884 -1.135 . . . . 0.0 112.781 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.07 83.5 Favored Glycine 0 N--CA 1.502 3.088 0 O-C-N 120.001 -1.687 . . . . 0.0 112.557 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.93 136.28 54.58 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.78 158.54 33.09 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-O 123.831 1.777 . . . . 0.0 112.427 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.33 31.27 Favored 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 112.436 -2.165 . . . . 0.0 108.576 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.56 135.97 48.91 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.74 47.52 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.68 -1.262 . . . . 0.0 110.763 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.47 12.96 31.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.677 -1.264 . . . . 0.0 109.458 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.5 m -133.0 104.16 6.4 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 122.098 0.952 . . . . 0.0 110.197 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.6 tp -57.24 -37.99 73.12 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.918 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -58.86 -51.4 70.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.628 -1.295 . . . . 0.0 113.074 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -69.99 -32.48 70.7 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 119.542 -1.974 . . . . 0.0 109.186 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.76 -33.69 75.69 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.975 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.602 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.71 -10.44 52.45 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.618 -0.676 . . . . 0.0 109.885 -177.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.0 p -89.8 -7.69 53.82 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.935 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . 0.501 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 96.6 mt -93.38 159.27 15.33 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.213 -0.929 . . . . 0.0 110.128 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.91 2.97 Favored Glycine 0 N--CA 1.485 1.943 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.61 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 120.74 -1.447 . . . . 0.0 107.432 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.887 HG22 HG21 ' C' ' 56' ' ' THR . 3.6 p -81.48 172.63 13.28 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.272 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -60.73 140.92 57.37 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.867 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.2 78.93 Favored Glycine 0 N--CA 1.5 2.963 0 C-N-CA 120.02 -1.086 . . . . 0.0 111.375 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.47 135.91 34.05 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.941 -1.329 . . . . 0.0 110.648 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 91.0 t -96.56 123.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.485 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.1 160.05 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 119.997 -1.689 . . . . 0.0 110.67 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.5 m -108.83 128.38 54.84 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.516 -1.365 . . . . 0.0 107.594 175.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.87 121.45 60.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.33 50.72 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 -179.599 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.81 153.42 47.09 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.765 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.79 6.42 Favored 'General case' 0 C--N 1.288 -2.094 0 C-N-CA 118.509 -1.276 . . . . 0.0 107.997 178.229 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.3 40.16 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 117.979 -2.058 . . . . 0.0 110.365 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.58 82.6 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.428 -0.886 . . . . 0.0 112.248 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.65 3.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 118.968 -2.333 . . . . 0.0 108.603 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.25 -33.67 65.64 Favored 'General case' 0 N--CA 1.521 3.124 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.465 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.53 27.75 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.544 -1.972 . . . . 0.0 111.02 -176.562 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.811 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.77 97.83 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.5 77.62 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 117.442 -1.703 . . . . 0.0 110.025 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.78 -42.26 89.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-O 122.231 1.015 . . . . 0.0 109.291 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.86 76.58 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-O 122.107 0.956 . . . . 0.0 108.789 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.811 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.82 -38.33 76.53 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.651 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' D' ' 377' ' ' LEU . 79.8 mt -75.63 -28.61 58.87 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.369 -1.457 . . . . 0.0 110.85 -174.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.47 70.94 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.436 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.9 -49.24 63.07 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.26 -45.27 84.15 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.042 -1.063 . . . . 0.0 110.523 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.485 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.28 -37.38 85.31 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.895 -1.128 . . . . 0.0 111.609 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.79 61.58 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.17 -0.956 . . . . 0.0 110.215 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -78.87 -32.33 45.91 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.517 -0.739 . . . . 0.0 111.304 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.749 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.06 125.47 12.24 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 124.313 2.006 . . . . 0.0 112.877 178.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.2 tt0 . . . . . 0 C--N 1.277 -2.548 0 CA-C-N 111.134 -2.757 . . . . 0.0 110.126 -177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.7 mt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.496 0.189 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.83 -46.91 79.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.946 0.403 . . . . 1.9399999999999999 110.284 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -67.22 -36.41 81.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.217 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 58' ' ' LEU . 85.2 t -63.78 -42.18 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.363 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 4' ' ' LEU . 69.9 t -60.29 -44.87 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.93 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -58.91 -40.85 85.76 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.564 -0.532 . . . . 0.17999999999999999 109.564 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.27 97.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.83 -42.76 99.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.174 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.1 -43.85 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.20000000000000001 109.784 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.444 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.2 mt -64.02 -44.08 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.553 . . . . 0.01 109.984 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.22 -45.98 92.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.813 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.5 p -60.64 -43.36 97.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.003 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -42.71 98.92 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.576 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 93.7 mm-40 -63.4 -42.52 98.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.551 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.47 -48.98 78.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.883 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.48 -46.39 90.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.0 m -54.69 -43.96 72.97 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.19 -42.0 99.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.689 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -60.13 -49.82 76.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.365 0.603 . . . . 0.0 109.388 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.78 -42.79 94.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.557 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.0 93.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.72 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.67 -42.62 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.652 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.62 -45.58 93.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.485 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.96 -41.88 75.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 36' ' ' ALA . 26.2 mt-30 -62.01 -41.5 98.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.857 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.86 93.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.701 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.63 -28.82 69.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.14 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -80.4 -4.58 54.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.462 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.97 14.61 69.18 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.35 79.23 2.51 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -64.51 -34.73 78.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.676 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.33 83.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.063 0.459 . . . . 0.0 110.742 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' C ' ' NE2' ' A' ' 28' ' ' GLN . . . -65.45 -34.9 79.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.322 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.36 83.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.605 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.35 -42.61 99.54 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.591 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.1 98.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.801 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.36 -42.02 93.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.486 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.543 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.6 mtm -64.01 -40.76 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.633 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.65 -44.97 94.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.84 -41.13 97.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.212 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -61.11 -45.69 93.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.732 ' HE ' HH12 ' A' ' 88' ' ' ARG . 41.2 ttm180 -60.99 -42.23 98.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.323 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.3 -42.24 99.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.158 0.504 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.58 99.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.157 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.551 HD21 ' CB ' ' A' ' 18' ' ' ALA . 91.2 mt -66.06 -39.21 89.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.736 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.41 -42.89 96.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.307 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.6 -39.89 92.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.226 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.51 80.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -62.2 -37.84 86.86 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.061 -0.518 . . . . 0.089999999999999997 110.439 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.02 -43.97 98.1 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.33 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.43 -42.87 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.013 0.435 . . . . 0.0 110.05 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.473 HE22 ' CG1' ' A' ' 59' ' ' ILE . 9.3 tm0? -60.65 -44.27 96.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.239 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -56.7 -42.64 79.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.059999999999999998 110.037 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.76 -38.61 88.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.425 . . . . 0.0 110.58 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.409 HD11 HG11 ' A' ' 7' ' ' VAL . 97.1 mt -63.94 -29.15 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.685 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.473 ' CG1' HE22 ' A' ' 55' ' ' GLN . 95.9 mt -88.47 -32.13 5.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.050000000000000003 110.812 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 75' ' ' VAL . 5.7 p . . . . . 0 C--O 1.227 -0.126 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 72' ' ' LEU . 31.3 mt -58.05 -44.54 87.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.619 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.613 HG13 HG21 ' A' ' 8' ' ' VAL . 71.3 t -65.83 -47.02 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.904 0.383 . . . . 0.0 110.595 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.5 -43.18 94.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.206 -0.452 . . . . 0.11 110.884 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 71' ' ' SER . 54.0 t -60.94 -47.84 91.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.753 -0.658 . . . . 0.38 110.218 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.42 -46.14 89.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.778 0.323 . . . . 0.0 110.317 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.77 90.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.466 -0.333 . . . . 0.059999999999999998 110.607 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.416 ' NE2' HD11 ' A' ' 59' ' ' ILE . 84.0 mt-30 -61.59 -38.43 87.52 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0900000000000001 110.159 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.555 ' O ' HG23 ' A' ' 83' ' ' THR . 33.2 tp -56.78 -47.59 79.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.403 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -68.09 -47.54 67.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.277 -0.419 . . . . 0.080000000000000002 110.703 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.18 -47.09 87.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.865 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.76 -42.89 99.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.217 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 79' ' ' LEU . 19.2 p -63.5 -45.56 90.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.068 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.98 -47.45 84.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.387 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.55 -46.92 83.33 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.545 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.99 -44.38 96.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.077 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.07 80.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.871 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.732 HH12 ' HE ' ' A' ' 45' ' ' ARG . 71.4 ttp85 -58.4 -44.78 89.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.186 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.427 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.5 mt-10 -61.53 -43.48 98.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.115 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.6 mt -64.47 -43.45 94.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.177 0.513 . . . . 0.0 109.767 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.532 HD12 ' HB1' ' A' ' 22' ' ' ALA . 81.1 mt -60.93 -42.49 92.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.224 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 m -58.03 -46.26 85.61 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.517 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.7 mt-10 -63.2 -43.31 98.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.607 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 23.1 mt -59.06 -43.25 91.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.324 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.543 HD12 ' SD ' ' A' ' 41' ' ' MET . 85.9 mt -61.03 -42.87 94.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.537 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -61.38 -39.86 92.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.582 HD21 ' NE2' ' B' ' 98' ' ' HIS . 39.2 mt -62.42 -42.22 99.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.835 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -60.88 -39.8 90.62 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.01 -38.25 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.184 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -63.85 -40.71 97.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.218 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.417 179.773 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.657 ' O ' HG23 ' B' ' 8' ' ' VAL . 61.3 mt . . . . . 0 CA--C 1.521 -0.152 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.02 -46.87 79.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 1.9399999999999999 110.393 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -67.22 -36.15 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.23 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.408 HG11 HD11 ' B' ' 58' ' ' LEU . 82.4 t -64.06 -42.22 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.277 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 4' ' ' LEU . 70.7 t -60.35 -44.61 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.866 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.25 -40.89 87.39 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.522 -0.548 . . . . 0.17999999999999999 109.522 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.49 -42.27 97.59 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.86 -42.67 99.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.354 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.24 -44.03 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.933 -0.576 . . . . 0.28999999999999998 109.711 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -44.49 98.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.916 -0.583 . . . . 0.02 109.98 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -60.83 -46.3 91.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.844 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -60.11 -43.53 95.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.159 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.13 99.09 Favored Glycine 0 C--N 1.332 0.352 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.2 -42.38 99.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.552 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.66 -48.65 80.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.866 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.63 -46.49 90.08 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 69.6 m -54.69 -43.64 72.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.37 -42.45 98.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.733 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.8 -49.85 76.12 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.427 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.0 m-85 -59.77 -42.72 93.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.596 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.63 93.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.62 91.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.617 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.42 -45.92 92.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.347 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -55.63 -42.33 74.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.538 ' NE2' ' C ' ' B' ' 36' ' ' ALA . 26.3 mt-30 -61.63 -41.55 97.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.813 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.88 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.719 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.88 -28.48 69.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.068 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -80.58 -4.95 55.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.432 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.27 14.34 69.05 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.06 79.37 2.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.765 0.316 . . . . 0.0 110.289 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -64.83 -34.73 79.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.61 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.58 82.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.04 0.448 . . . . 0.0 110.781 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.538 ' C ' ' NE2' ' B' ' 28' ' ' GLN . . . -65.12 -35.19 80.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.366 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.37 83.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.608 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.02 -43.0 99.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 110.633 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.23 98.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.644 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.3 -42.23 93.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.531 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.6 mtm -63.69 -40.62 97.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.558 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.85 -44.96 94.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.496 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.89 -40.8 97.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.243 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 41.8 t -61.56 -45.45 94.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.736 ' HE ' HH12 ' B' ' 88' ' ' ARG . 41.3 ttm180 -61.38 -42.26 98.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.261 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.74 -42.81 99.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 110.643 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.58 99.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.135 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.552 HD21 ' CB ' ' B' ' 18' ' ' ALA . 91.6 mt -66.28 -39.22 89.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.749 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.39 -42.45 95.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.331 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.99 -40.16 90.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.16 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.74 -44.68 80.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.422 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.26 -37.75 86.66 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.089999999999999997 110.294 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.02 -44.0 98.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 68.1 t -66.5 -42.76 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.043 0.449 . . . . 0.0 110.049 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.48 HE22 ' CG1' ' B' ' 59' ' ' ILE . 9.2 tm0? -60.66 -44.26 96.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.242 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -56.82 -42.66 79.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.059999999999999998 110.018 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.71 -38.52 88.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 0.0 110.54 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.408 HD11 HG11 ' B' ' 7' ' ' VAL . 97.2 mt -64.02 -28.94 70.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.733 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.48 ' CG1' HE22 ' B' ' 55' ' ' GLN . 96.1 mt -88.78 -32.29 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.040000000000000001 110.779 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.49 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.492 ' O ' HG23 ' B' ' 75' ' ' VAL . 10.0 p . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 121.023 0.44 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 72' ' ' LEU . 34.8 mt -60.04 -44.7 94.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.633 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.605 HG13 HG21 ' B' ' 8' ' ' VAL . 67.6 t -64.39 -46.89 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.625 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.4 -43.05 95.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.126 0.489 . . . . 0.11 111.013 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 71' ' ' SER . 53.0 t -60.89 -47.68 92.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.781 -0.645 . . . . 0.38 110.309 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -59.46 -46.36 88.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.828 -0.349 . . . . 1.1100000000000001 110.346 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.91 90.13 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.928 0.394 . . . . 0.059999999999999998 110.448 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -61.25 -38.7 87.62 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.146 -0.479 . . . . 1.0900000000000001 110.194 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.564 ' O ' HG23 ' B' ' 83' ' ' THR . 33.5 tp -56.97 -47.31 81.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.403 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -68.13 -47.45 68.08 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.821 -0.352 . . . . 0.080000000000000002 110.705 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.36 -47.0 87.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.856 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.66 -43.04 99.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.246 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 79' ' ' LEU . 19.6 p -63.39 -45.33 91.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.192 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -62.1 -47.28 85.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.86 -46.86 84.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.482 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.67 -44.8 96.27 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.44 79.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.935 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.736 HH12 ' HE ' ' B' ' 45' ' ' ARG . 71.9 ttp85 -57.83 -45.01 86.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.252 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.408 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -61.53 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.176 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.42 -43.16 95.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 110.01 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.526 HD12 ' HB1' ' B' ' 22' ' ' ALA . 82.2 mt -61.12 -42.52 93.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.237 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 71.2 m -58.02 -46.12 85.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.041 0.448 . . . . 0.0 109.828 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.505 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.9 mt-10 -63.43 -42.91 98.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.45 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.553 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 23.4 mt -59.5 -43.26 93.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.531 HD12 ' SD ' ' B' ' 41' ' ' MET . 85.3 mt -60.95 -43.04 95.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.55 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -61.07 -40.13 92.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.733 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.589 HD21 ' NE2' ' C' ' 98' ' ' HIS . 37.6 mt -62.35 -42.02 99.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.803 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.582 ' NE2' HD21 ' A' ' 97' ' ' LEU . 67.7 m80 -61.0 -40.07 92.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -63.65 -38.78 92.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.094 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.48 -40.71 97.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.197 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.344 179.753 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.666 ' O ' HG23 ' C' ' 8' ' ' VAL . 61.5 mt . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.592 0.234 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.83 -46.71 80.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.836 0.35 . . . . 1.9399999999999999 110.443 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.41 -36.45 81.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.305 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.58 -42.03 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.666 HG23 ' O ' ' C' ' 4' ' ' LEU . 73.4 t -60.7 -44.42 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.001 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.34 -41.4 89.1 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.601 -0.518 . . . . 0.17999999999999999 109.601 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.92 -42.33 98.38 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.71 -42.77 99.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.394 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.4 -43.6 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.29999999999999999 109.713 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.87 -44.09 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.066 -0.515 . . . . 0.02 110.031 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.32 -45.91 92.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.765 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -60.5 -43.63 96.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.232 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.34 98.84 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -62.73 -43.12 99.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.559 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.7 -49.65 75.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.99 -46.66 88.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.0 m -54.3 -44.58 72.08 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.49 -42.49 99.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.754 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.531 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.7 -50.18 74.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.408 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.41 -43.13 93.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.561 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.67 92.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.668 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.37 90.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.564 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.73 -45.77 92.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.464 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -55.95 -41.74 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.548 ' NE2' ' C ' ' C' ' 36' ' ' ALA . 26.2 mt-30 -62.31 -40.93 97.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.874 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.6 94.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.822 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.15 -28.57 69.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.062 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -80.48 -4.92 55.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.417 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.34 14.53 68.48 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -98.48 79.24 2.48 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.6 -34.89 79.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.579 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.12 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.713 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . 0.548 ' C ' ' NE2' ' C' ' 28' ' ' GLN . . . -65.63 -35.1 79.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -47.23 83.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.488 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.07 -43.23 99.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.611 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.16 99.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.768 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . 0.403 ' HG3' ' NE2' ' C' ' 28' ' ' GLN . 90.0 mmm -65.38 -41.98 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.542 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.528 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.2 mtm -63.91 -40.95 97.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.644 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.56 -44.98 94.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.77 -40.82 97.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.279 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -61.64 -45.44 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.562 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.714 ' HE ' HH12 ' C' ' 88' ' ' ARG . 41.6 ttm180 -61.15 -42.24 98.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.96 0.409 . . . . 0.0 110.351 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.89 -42.85 99.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.349 0.595 . . . . 0.0 110.531 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.4 99.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.379 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.559 HD21 ' CB ' ' C' ' 18' ' ' ALA . 92.3 mt -66.48 -39.29 88.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.752 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.37 -42.83 96.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.396 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.68 -40.18 92.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.038 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.17 80.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.474 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.558 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.6 t-80 -61.71 -38.04 86.38 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.932 -0.576 . . . . 0.089999999999999997 110.328 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 53' ' ' LEU . 37.1 mt -60.88 -44.16 97.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.29 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.15 -42.86 92.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.044 0.449 . . . . 0.0 109.997 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.481 HE22 ' CG1' ' C' ' 59' ' ' ILE . 9.2 tm0? -60.88 -44.25 97.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.225 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.747 HG21 HG22 ' D' ' 356' ' ' THR . 19.0 m -56.71 -42.46 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.059999999999999998 110.173 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.99 -38.55 88.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.496 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.75 -29.25 70.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.794 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.481 ' CG1' HE22 ' C' ' 55' ' ' GLN . 95.9 mt -88.4 -32.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.059999999999999998 110.861 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 80.3 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' C' ' 72' ' ' LEU . 19.2 mt . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 120.621 0.248 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' C' ' 8' ' ' VAL . 65.4 t -65.89 -47.33 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 130.13 3.372 . . . . 0.0 110.633 -178.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.63 -42.96 85.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.067 0.46 . . . . 0.11 110.973 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.96 -47.97 91.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.771 -0.65 . . . . 0.40000000000000002 110.23 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -59.73 -46.61 88.59 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.894 -0.322 . . . . 1.02 110.264 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.9 -45.68 91.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.851 0.357 . . . . 0.059999999999999998 110.374 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.404 ' NE2' HD11 ' C' ' 59' ' ' ILE . 84.0 mt-30 -61.35 -38.59 87.5 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.26 -0.427 . . . . 1.0900000000000001 110.276 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.562 ' O ' HG23 ' C' ' 83' ' ' THR . 33.5 tp -56.87 -47.59 80.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.472 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -67.93 -47.66 68.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 0.080000000000000002 110.749 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.1 -47.16 87.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.822 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.43 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.38 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.562 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -63.24 -45.11 93.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.195 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.13 -47.56 84.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.4 -47.27 82.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.436 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.49 -44.86 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.188 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.25 79.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.869 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.714 HH12 ' HE ' ' C' ' 45' ' ' ARG . 71.5 ttp85 -58.17 -44.84 88.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.219 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.139 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.46 -43.36 94.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 109.97 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.531 HD12 ' HB1' ' C' ' 22' ' ' ALA . 82.3 mt -60.85 -42.69 93.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.4 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.7 m -57.88 -46.07 85.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.442 . . . . 0.0 109.986 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.39 -43.24 98.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.473 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.555 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 22.8 mt -59.09 -43.28 91.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.528 HD12 ' SD ' ' C' ' 41' ' ' MET . 84.7 mt -61.05 -43.07 95.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.631 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.78 -40.3 92.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.148 0.499 . . . . 0.0 109.829 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' C' ' 97' ' ' LEU . 38.4 mt -62.05 -42.33 99.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.885 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.589 ' NE2' HD21 ' B' ' 97' ' ' LEU . 67.8 m80 -60.77 -39.99 90.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.588 ' O ' ' N ' ' C' ' 103' ' ' ALA . 81.4 tt0 -63.67 -39.0 93.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.062 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.21 -40.56 97.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.249 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.01 -41.98 97.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.296 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -93.25 -6.23 48.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.438 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.446 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.905 0.86 . . . . 0.0 108.881 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.08 36.66 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.31 38.51 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.0 -1.063 . . . . 0.0 109.556 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.13 149.21 28.53 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.28 152.31 19.0 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.025 -1.047 . . . . 0.0 108.364 178.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.76 144.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.72 136.57 37.07 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 122.162 0.982 . . . . 0.0 110.131 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.86 114.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.87 -4.34 19.31 Favored 'General case' 0 C--N 1.265 -3.067 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.42 141.87 86.08 Favored Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 119.612 -1.93 . . . . 0.0 110.612 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.59 -47.6 13.19 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 124.7 3.6 . . . . 0.0 114.184 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.558 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.0 m-20 -102.17 27.49 6.63 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 116.125 -2.23 . . . . 0.0 108.799 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.11 -127.5 27.34 Favored Glycine 0 N--CA 1.497 2.715 0 C-N-CA 117.698 -2.192 . . . . 0.0 109.538 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.556 HD21 HD23 ' D' ' 384' ' ' LEU . 0.8 OUTLIER -130.04 78.06 1.82 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.861 -1.376 . . . . 0.0 109.482 -177.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.56 176.38 8.65 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 117.891 -1.524 . . . . 0.0 112.108 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 13.6 p -21.65 -69.58 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.576 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 4.5 ttt-85 -45.01 -66.16 0.53 Allowed Pre-proline 0 N--CA 1.493 1.709 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.499 -177.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -64.85 -32.16 56.04 Favored 'Trans proline' 0 N--CA 1.485 0.985 0 C-N-CA 121.904 1.736 . . . . 0.0 111.434 176.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.483 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.84 86.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.209 -0.932 . . . . 0.0 109.505 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.95 -39.75 72.41 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -63.91 -39.4 94.08 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 117.965 -1.494 . . . . 0.0 109.493 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.435 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.72 -45.23 93.71 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 122.575 1.178 . . . . 0.0 108.748 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.483 HG23 ' O ' ' D' ' 319' ' ' ALA . 54.5 t -62.72 -42.21 95.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.623 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -63.9 -40.26 96.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.226 -0.921 . . . . 0.0 109.763 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.73 -39.7 80.23 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.381 -0.824 . . . . 0.0 109.617 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.95 91.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.551 -1.343 . . . . 0.0 109.422 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.41 -16.19 44.17 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 121.315 -0.866 . . . . 0.0 113.323 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.88 -10.55 86.08 Favored Glycine 0 N--CA 1.478 1.499 0 O-C-N 119.955 -1.715 . . . . 0.0 109.339 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.49 143.29 32.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.231 -1.746 . . . . 0.0 110.03 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.4 p -75.57 -30.05 59.53 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.229 -0.919 . . . . 0.0 112.325 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.75 158.61 10.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 119.806 -1.809 . . . . 0.0 112.826 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.28 35.36 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 102.807 -3.034 . . . . 0.0 102.807 171.291 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.71 136.52 60.58 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.415 0 O-C-N 121.112 -0.993 . . . . 0.0 109.278 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.93 143.19 50.99 Favored 'General case' 0 C--N 1.284 -2.248 0 CA-C-O 123.091 1.424 . . . . 0.0 109.978 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.0 t -108.04 129.93 61.39 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.744 0 N-CA-C 105.551 -2.018 . . . . 0.0 105.551 173.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.1 m -127.45 119.59 26.46 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.859 -1.151 . . . . 0.0 108.895 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.58 122.6 39.25 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.906 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.85 38.85 24.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.868 -1.145 . . . . 0.0 112.767 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.02 83.53 Favored Glycine 0 N--CA 1.502 3.056 0 O-C-N 119.972 -1.705 . . . . 0.0 112.588 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.89 136.29 54.56 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.79 158.47 33.27 Favored 'General case' 0 C--N 1.275 -2.646 0 CA-C-O 123.809 1.766 . . . . 0.0 112.467 -176.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.58 151.4 31.5 Favored 'General case' 0 C--N 1.279 -2.493 0 CA-C-N 112.472 -2.149 . . . . 0.0 108.585 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.56 135.88 48.85 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.77 47.44 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.692 -1.255 . . . . 0.0 110.73 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.93 31.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.612 -1.305 . . . . 0.0 109.39 -177.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.8 t -133.1 104.11 6.35 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 122.215 1.007 . . . . 0.0 110.174 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.1 tp -57.17 -37.92 72.82 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.968 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -59.03 -51.28 70.74 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.61 -1.306 . . . . 0.0 113.021 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.04 -32.47 70.62 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 119.527 -1.983 . . . . 0.0 109.223 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.7 -33.78 75.8 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.932 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.547 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.7 -10.41 52.19 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.731 -0.606 . . . . 0.0 109.953 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.3 p -89.76 -7.79 53.66 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.965 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . 0.46 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 94.9 mt -93.3 159.27 15.34 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 110.16 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.79 2.96 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 106.889 -2.485 . . . . 0.0 106.889 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.55 47.43 1.71 Allowed 'General case' 0 C--N 1.308 -1.222 0 O-C-N 120.745 -1.444 . . . . 0.0 107.467 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.747 HG22 HG21 ' C' ' 56' ' ' THR . 3.8 p -81.45 172.51 13.43 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.864 -1.134 . . . . 0.0 109.232 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.7 140.92 57.33 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.384 -0.926 . . . . 0.0 109.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.2 78.87 Favored Glycine 0 N--CA 1.5 2.91 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.35 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.41 135.89 34.09 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.919 -1.342 . . . . 0.0 110.641 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.48 123.69 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.484 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.11 160.03 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 C-N-CA 117.474 -1.69 . . . . 0.0 110.702 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.91 128.42 54.91 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 120.519 -1.363 . . . . 0.0 107.571 175.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.94 121.46 60.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 176.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.26 50.72 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -179.555 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.43 47.11 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 118.498 -1.281 . . . . 0.0 109.728 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.73 6.4 Favored 'General case' 0 C--N 1.288 -2.101 0 C-N-CA 118.585 -1.246 . . . . 0.0 108.045 178.241 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.3 40.16 Favored Glycine 0 C--N 1.296 -1.664 0 C-N-CA 118.019 -2.039 . . . . 0.0 110.377 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.59 82.48 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.28 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.07 36.84 3.52 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 115.844 -2.342 . . . . 0.0 108.583 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.44 -33.51 65.93 Favored 'General case' 0 N--CA 1.521 3.095 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -174.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.457 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.66 27.52 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.575 -1.953 . . . . 0.0 110.996 -176.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.759 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.5 -40.73 97.84 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.49 77.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 117.475 -1.69 . . . . 0.0 110.018 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.83 -42.19 88.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-O 122.192 0.996 . . . . 0.0 109.323 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.87 -47.87 76.57 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.05 0.929 . . . . 0.0 108.755 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.759 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.81 -38.35 76.57 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.686 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.435 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.4 mt -75.54 -28.69 59.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.385 -1.447 . . . . 0.0 110.853 -174.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.54 -39.4 70.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.414 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.25 62.98 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.33 -45.16 84.57 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.956 -1.098 . . . . 0.0 110.548 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.484 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.42 85.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.864 -1.147 . . . . 0.0 111.526 -177.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.84 61.67 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.113 -0.992 . . . . 0.0 110.224 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 -32.33 46.18 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.544 -0.723 . . . . 0.0 111.377 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.556 HD23 HD21 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.02 125.42 12.07 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 124.32 2.01 . . . . 0.0 112.921 178.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.278 -2.543 0 CA-C-N 111.124 -2.762 . . . . 0.0 110.186 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.0 mt . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.26 -47.26 80.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.927 0.394 . . . . 1.9399999999999999 110.266 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -67.44 -34.84 78.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.19 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.479 HG11 HD11 ' A' ' 58' ' ' LEU . 70.6 t -64.17 -42.71 96.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.359 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 4' ' ' LEU . 91.9 t -60.38 -44.43 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.018 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.1 mtp -59.22 -41.85 89.64 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.532 -0.544 . . . . 0.17999999999999999 109.532 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.02 -42.41 98.21 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 11' ' ' LEU . 35.8 mt -63.56 -42.15 98.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.172 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -44.94 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.20000000000000001 109.811 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.86 -44.45 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.01 109.954 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.56 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.5 t-20 -60.5 -46.36 90.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.851 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.4 m -59.59 -43.81 93.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.967 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.537 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.38 -42.2 99.18 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.01 -42.41 99.82 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.67 -49.13 78.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.883 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -60.2 -45.98 91.3 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -55.1 -44.79 75.23 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.84 -42.57 99.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.728 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.561 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.68 -50.92 72.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.4 -42.48 91.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.578 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.58 90.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.715 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.48 86.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.662 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.28 -44.88 96.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.463 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.31 -42.68 74.02 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.0 -41.79 92.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.756 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.58 91.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.644 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.29 -30.04 70.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.171 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -80.11 -3.51 49.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.46 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.95 12.22 81.48 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -94.89 81.95 3.81 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.754 0.311 . . . . 0.0 110.306 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -64.65 -34.62 78.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.665 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.77 86.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.025 0.441 . . . . 0.0 110.739 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.77 81.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.301 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.05 -47.99 80.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.559 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.51 -43.06 99.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.612 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.44 98.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mmm -66.28 -42.06 88.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.585 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.1 mtm -63.87 -41.55 97.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.611 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.86 -46.32 89.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.02 0.438 . . . . 0.0 110.499 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.43 -40.87 98.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.126 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 41' ' ' MET . 79.4 p -61.28 -46.15 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.508 ' CZ ' ' NH1' ' A' ' 88' ' ' ARG . 62.9 ttm-85 -60.36 -42.61 96.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.296 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.2 mmm -61.48 -42.79 99.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.194 0.521 . . . . 0.0 110.56 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.73 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' A' ' 18' ' ' ALA . 87.6 mt -65.18 -39.83 93.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.09 -42.02 97.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.318 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.58 -39.75 91.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.216 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.12 -44.04 80.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.401 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.16 -37.86 88.91 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.046 -0.525 . . . . 0.089999999999999997 110.38 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.9 mt -61.37 -43.76 98.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.29 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.47 -43.31 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.718 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.37 -42.77 96.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -58.61 -41.74 86.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.059999999999999998 110.062 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.2 -38.81 92.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.943 0.402 . . . . 0.0 110.544 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 7' ' ' VAL . 96.8 mt -64.97 -26.98 68.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.634 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.523 HD11 ' OE1' ' A' ' 55' ' ' GLN . 96.7 mt -83.66 -30.36 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.072 -0.513 . . . . 0.050000000000000003 110.882 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.458 179.658 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.2 p . . . . . 0 C--O 1.227 -0.118 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.17 -48.8 75.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.616 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 8' ' ' VAL . 54.5 t -62.85 -45.23 99.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.852 0.358 . . . . 0.0 110.521 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.718 ' CD2' HE22 ' A' ' 55' ' ' GLN . 77.8 mt -62.23 -40.52 96.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.077 0.465 . . . . 0.11 110.897 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 71' ' ' SER . 54.5 t -60.68 -48.35 89.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.747 -0.661 . . . . 0.38 110.149 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.69 -46.49 88.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.777 0.322 . . . . 0.0 110.34 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.65 99.51 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.759 0.314 . . . . 0.059999999999999998 110.635 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.4 ' OE1' HD23 ' B' ' 79' ' ' LEU . 52.3 tt0 -62.75 -39.2 93.41 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0900000000000001 110.199 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 83' ' ' THR . 38.0 tp -56.89 -46.26 82.03 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.372 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -67.16 -47.23 71.64 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.678 -0.409 . . . . 0.080000000000000002 110.725 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.27 -44.98 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.841 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -62.03 -43.17 99.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.214 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.1 p -64.59 -46.47 82.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.1 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -62.58 -49.04 76.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.1 ttp -57.95 -48.04 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.552 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.99 -45.26 94.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.117 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -47.76 84.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.843 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.508 ' NH1' ' CZ ' ' A' ' 45' ' ' ARG . 9.0 tmm_? -58.23 -45.96 86.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.065 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.503 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.8 mt-10 -61.4 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.122 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.38 -42.53 96.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.14 0.495 . . . . 0.0 109.84 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.561 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.3 mt -60.85 -42.46 92.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.292 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.8 m -57.99 -46.18 85.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.012 0.434 . . . . 0.0 109.914 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.575 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.0 mt-10 -63.37 -43.22 98.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.563 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 18.1 mt -59.25 -43.05 92.46 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.585 HD12 ' SD ' ' A' ' 41' ' ' MET . 88.8 mt -61.3 -42.46 93.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.559 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -62.54 -39.29 93.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.14 -41.63 98.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.83 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.5 m80 -60.82 -38.99 87.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.18 -39.12 91.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.193 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.31 -38.66 90.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.198 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.426 179.742 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.642 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.7 mt . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.591 0.234 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -64.45 -47.33 79.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.967 0.413 . . . . 1.9399999999999999 110.335 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -67.06 -34.95 78.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.189 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.485 HG11 HD11 ' B' ' 58' ' ' LEU . 70.1 t -64.32 -42.58 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.38 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 4' ' ' LEU . 90.7 t -60.64 -44.43 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.88 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.3 mtp -59.14 -41.56 88.59 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.561 -0.533 . . . . 0.17999999999999999 109.561 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.59 97.61 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 11' ' ' LEU . 37.0 mt -63.35 -42.16 98.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.813 0.34 . . . . 0.0 110.347 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.486 HG12 ' HD1' ' B' ' 80' ' ' HIS . 95.9 mt -63.17 -44.98 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.933 -0.576 . . . . 0.28999999999999998 109.751 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.8 -44.43 98.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.993 -0.548 . . . . 0.02 109.884 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.553 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 50.9 t-20 -60.61 -46.19 91.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.763 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 51.2 m -59.62 -43.82 93.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.124 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.52 -41.82 99.11 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.2 -42.38 99.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.83 -49.21 78.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.88 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -60.04 -45.8 91.61 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -55.44 -44.72 76.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.72 -42.53 99.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.709 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.566 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.17 -50.55 73.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.503 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.66 -42.11 92.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.685 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.76 91.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.661 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.68 86.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.628 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.31 -44.91 96.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.302 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.33 -42.7 74.12 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -60.21 -41.36 92.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.868 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.68 92.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.703 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.13 -30.24 70.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.01 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -80.08 -3.32 48.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.8 12.11 81.86 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -94.77 82.07 3.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.844 0.354 . . . . 0.0 110.339 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -64.76 -34.91 79.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.594 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.21 -46.66 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.032 0.444 . . . . 0.0 110.78 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.51 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.45 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.05 79.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.494 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.41 -43.33 99.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.559 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.19 -42.52 99.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mmm -66.31 -42.11 88.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.579 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.9 mtm -63.72 -41.58 98.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.59 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -61.99 -46.29 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.13 -41.02 99.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.341 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' B' ' 41' ' ' MET . 79.0 p -61.16 -46.09 91.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.471 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.526 ' CZ ' ' NH1' ' B' ' 88' ' ' ARG . 62.8 ttm-85 -60.72 -42.15 96.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.279 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.66 -42.85 99.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.244 0.545 . . . . 0.0 110.612 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.38 99.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.175 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' B' ' 18' ' ' ALA . 87.1 mt -65.61 -39.53 91.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.751 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.404 ' HA ' HD22 ' B' ' 49' ' ' ASN . 10.0 m120 -61.34 -41.84 97.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.364 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.9 -39.43 90.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.169 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.553 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.18 -44.17 80.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.441 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.23 -37.9 89.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.089999999999999997 110.381 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.33 -43.65 98.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.48 -43.25 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.076 0.465 . . . . 0.0 110.019 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.709 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.49 -42.54 96.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -58.87 -41.89 88.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.059999999999999998 109.961 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -39.12 93.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.404 . . . . 0.0 110.554 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.485 HD11 HG11 ' B' ' 7' ' ' VAL . 96.9 mt -64.72 -27.11 68.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.711 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.537 HD11 ' OE1' ' B' ' 55' ' ' GLN . 96.7 mt -83.42 -30.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.067 -0.515 . . . . 0.040000000000000001 110.805 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.49 179.678 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.611 ' O ' HG23 ' B' ' 75' ' ' VAL . 7.0 p . . . . . 0 N--CA 1.46 0.075 0 CA-C-O 121.061 0.457 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.36 -48.21 82.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.605 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.446 HG13 HG21 ' B' ' 8' ' ' VAL . 55.9 t -62.33 -45.06 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.594 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.709 ' CD2' HE22 ' B' ' 55' ' ' GLN . 76.6 mt -62.12 -40.75 96.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.169 0.509 . . . . 0.11 110.969 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 71' ' ' SER . 53.6 t -60.31 -47.98 90.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.264 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.447 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 61.4 t60 -59.03 -47.25 85.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.886 -0.326 . . . . 1.1100000000000001 110.309 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.62 99.59 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.916 0.389 . . . . 0.059999999999999998 110.461 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' C' ' 76' ' ' HIS . 52.3 tt0 -62.59 -39.24 93.11 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0900000000000001 110.229 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.45 ' O ' HG23 ' B' ' 83' ' ' THR . 38.0 tp -57.03 -45.94 82.74 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.393 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.486 ' HD1' HG12 ' B' ' 12' ' ' ILE . 63.4 m170 -67.54 -46.89 71.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.322 -0.399 . . . . 0.080000000000000002 110.69 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.46 -45.15 95.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.859 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -61.81 -43.48 98.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.248 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -64.3 -46.45 83.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.108 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -62.66 -48.86 77.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -58.19 -47.9 81.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.484 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.94 -45.38 93.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.59 84.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.905 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.526 ' NH1' ' CZ ' ' B' ' 45' ' ' ARG . 8.9 tmm_? -58.52 -45.55 88.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.258 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.447 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.4 mt-10 -61.66 -42.98 99.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.165 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.73 -42.33 95.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.076 0.465 . . . . 0.0 109.966 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.566 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.1 mt -61.08 -42.55 93.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.159 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.0 m -57.87 -46.22 85.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.009 0.433 . . . . 0.0 109.888 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.579 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.7 mt-10 -63.37 -43.14 98.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.506 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.575 HD13 ' OE1' ' A' ' 93' ' ' GLU . 18.5 mt -59.32 -43.09 92.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.579 HD12 ' SD ' ' B' ' 41' ' ' MET . 89.0 mt -61.47 -42.54 94.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.507 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -62.33 -39.25 92.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.17 -41.58 98.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.916 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 68.6 m80 -60.84 -38.97 87.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.754 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.26 -39.31 92.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.108 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.02 -39.12 92.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.177 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.377 179.707 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.657 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.6 mt . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.653 0.263 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -64.46 -47.22 79.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 1.9399999999999999 110.328 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.42 -34.62 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.314 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.471 HG11 HD11 ' C' ' 58' ' ' LEU . 70.5 t -64.54 -42.12 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.429 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.657 HG23 ' O ' ' C' ' 4' ' ' LEU . 91.0 t -61.12 -44.51 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.002 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.2 mtp -58.99 -42.02 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.555 -0.535 . . . . 0.17999999999999999 109.555 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -42.77 98.52 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' C' ' 11' ' ' LEU . 37.1 mt -63.19 -42.3 99.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.911 0.386 . . . . 0.0 110.401 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.494 HG12 ' HD1' ' C' ' 80' ' ' HIS . 96.2 mt -63.0 -44.88 99.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 0.29999999999999999 109.67 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.81 -44.25 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.055 -0.52 . . . . 0.02 109.993 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.542 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.7 t-20 -60.87 -46.3 91.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.813 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 51.7 m -59.45 -43.69 93.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.227 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.04 98.88 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.21 -42.24 99.26 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.492 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.69 -49.32 78.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.764 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -60.08 -46.08 90.75 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -55.13 -44.96 75.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 21' ' ' LEU . 87.5 mt -62.46 -42.72 99.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.69 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.55 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.95 -50.93 72.19 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.447 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.0 m-85 -59.36 -42.52 91.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.52 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.7 90.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.51 85.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.627 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.42 -44.92 96.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.338 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.34 -42.7 74.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.1 -41.51 92.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.878 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.92 91.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.839 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.13 -30.17 70.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.097 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -79.83 -3.76 49.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.428 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.1 12.04 81.54 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -94.56 82.43 3.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.792 0.33 . . . . 0.0 110.293 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -65.27 -34.47 78.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.518 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.38 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.064 0.459 . . . . 0.0 110.753 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.53 80.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.345 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.28 -48.06 79.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.527 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.3 -43.4 98.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.583 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.67 99.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.78 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.8 mmm -66.06 -42.06 89.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.582 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.6 mtm -63.9 -41.65 97.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.646 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.81 -46.4 89.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.476 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.09 -41.11 99.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.286 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.2 p -61.0 -46.2 91.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.476 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.517 ' CZ ' ' NH1' ' C' ' 88' ' ' ARG . 63.0 ttm-85 -60.57 -42.23 96.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.334 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.66 -42.81 99.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.323 0.582 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.39 99.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.362 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.492 HD21 ' CB ' ' C' ' 18' ' ' ALA . 87.4 mt -65.65 -39.44 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.726 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.77 -41.5 97.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.315 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.92 -39.66 90.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.024 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.542 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.2 -44.63 79.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.37 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.44 ' CD2' ' HA ' ' D' ' 312' ' ' ASN . 82.1 t60 -62.58 -37.82 87.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.089999999999999997 110.305 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -61.54 -43.56 98.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.808 0.337 . . . . 0.0 110.328 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.39 -43.44 94.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.996 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.731 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -60.39 -42.81 96.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.226 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 1.027 HG21 HG22 ' D' ' 356' ' ' THR . 18.3 m -58.63 -41.92 87.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.059999999999999998 110.159 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.98 -39.03 93.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.522 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.471 HD11 HG11 ' C' ' 7' ' ' VAL . 96.8 mt -64.77 -26.97 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.822 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.549 HD11 ' OE1' ' C' ' 55' ' ' GLN . 96.7 mt -83.51 -30.23 7.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.059999999999999998 110.819 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.539 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.3 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 CA--C 1.518 -0.259 0 CA-C-O 120.643 0.258 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.465 HG13 HG21 ' C' ' 8' ' ' VAL . 54.6 t -63.87 -45.15 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 130.108 3.363 . . . . 0.0 110.627 -178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.731 ' CD2' HE22 ' C' ' 55' ' ' GLN . 78.0 mt -64.29 -40.26 95.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.13 0.491 . . . . 0.11 110.933 177.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.84 -48.43 88.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.788 -0.642 . . . . 0.40000000000000002 110.165 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.435 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 61.9 t60 -59.04 -47.39 85.38 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.926 -0.31 . . . . 1.02 110.362 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.34 99.58 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.841 0.353 . . . . 0.059999999999999998 110.423 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -62.79 -39.21 93.51 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.198 -0.455 . . . . 1.0900000000000001 110.204 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.442 ' O ' HG23 ' C' ' 83' ' ' THR . 36.7 tp -56.86 -46.41 81.79 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.551 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.494 ' HD1' HG12 ' C' ' 12' ' ' ILE . 63.2 m170 -66.98 -47.34 71.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.405 . . . . 0.080000000000000002 110.761 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.07 -45.29 95.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.845 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.68 -43.43 98.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.355 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.442 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.9 p -64.32 -46.62 82.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.241 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.8 t -62.46 -48.56 79.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -58.47 -47.91 82.51 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.503 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.87 -45.08 95.32 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.181 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.87 83.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.869 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.517 ' NH1' ' CZ ' ' C' ' 45' ' ' ARG . 8.9 tmm_? -58.25 -45.7 87.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.238 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.27 -43.52 98.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.197 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.4 -42.45 96.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 109.949 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.55 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.7 mt -60.83 -42.45 92.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.351 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.5 m -58.24 -45.61 87.43 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.586 -0.445 . . . . 0.0 109.966 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.94 -43.0 97.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.508 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.579 HD13 ' OE1' ' B' ' 93' ' ' GLU . 18.7 mt -59.25 -43.06 92.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.582 HD12 ' SD ' ' C' ' 41' ' ' MET . 88.5 mt -61.38 -42.66 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.588 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.2 -39.16 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.31 -41.55 98.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.863 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.7 m80 -60.86 -39.21 88.26 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.8 tt0 -61.97 -39.53 92.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.077 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.87 -39.06 92.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.235 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.53 -41.7 98.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.305 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' C' ' 99' ' ' GLU . 68.5 mttm -92.73 140.22 29.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.557 179.838 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 121.913 0.863 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.8 143.0 36.66 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.01 156.27 38.51 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.073 -1.017 . . . . 0.0 109.576 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.08 149.24 28.6 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.26 152.37 18.93 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.03 -1.044 . . . . 0.0 108.407 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.91 144.37 19.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.3 m -96.66 136.63 36.92 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 122.085 0.945 . . . . 0.0 110.116 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.94 114.32 24.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.9 -4.3 19.31 Favored 'General case' 0 C--N 1.264 -3.115 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.81 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.84 85.88 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 119.718 -1.864 . . . . 0.0 110.593 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.51 -47.64 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 124.652 3.568 . . . . 0.0 114.198 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.44 ' HA ' ' CD2' ' C' ' 52' ' ' HIS . 99.4 m-20 -102.15 27.57 6.55 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 116.061 -2.256 . . . . 0.0 108.763 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.44 -121.42 15.24 Favored Glycine 0 N--CA 1.495 2.607 0 C-N-CA 117.729 -2.176 . . . . 0.0 109.637 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.725 HD11 HD23 ' D' ' 384' ' ' LEU . 3.3 tp -135.06 75.48 1.57 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.995 -1.297 . . . . 0.0 109.517 -176.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.47 175.64 9.66 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 117.879 -1.529 . . . . 0.0 112.161 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.7 p -21.8 -71.31 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 -176.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.537 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 14.7 ttt-85 -43.37 -66.63 0.42 Allowed Pre-proline 0 N--CA 1.493 1.676 0 C-N-CA 120.211 -0.596 . . . . 0.0 112.483 -177.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.52 -32.24 59.56 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.394 1.396 . . . . 0.0 111.516 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.528 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.84 86.78 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.227 -0.921 . . . . 0.0 109.473 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.76 72.55 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.96 -39.4 94.06 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 117.993 -1.483 . . . . 0.0 109.48 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.71 -45.24 93.67 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 122.559 1.171 . . . . 0.0 108.726 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.528 HG23 ' O ' ' D' ' 319' ' ' ALA . 71.3 t -62.67 -42.28 95.45 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.25 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.631 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -63.9 -40.25 96.07 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 109.768 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.83 -39.63 79.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.486 -0.759 . . . . 0.0 109.589 177.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.95 92.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.607 -1.308 . . . . 0.0 109.403 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.3 -16.24 43.78 Favored 'General case' 0 N--CA 1.51 2.571 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.53 86.15 Favored Glycine 0 N--CA 1.478 1.462 0 O-C-N 119.881 -1.762 . . . . 0.0 109.284 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 93.0 m-85 -103.55 143.41 32.77 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.251 -1.735 . . . . 0.0 109.963 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.9 p -75.6 -30.08 59.46 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.25 -0.906 . . . . 0.0 112.338 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.64 9.99 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 119.88 -1.762 . . . . 0.0 112.787 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.04 130.31 35.38 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 171.225 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.76 136.62 60.26 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.391 0 CA-C-O 122.252 1.025 . . . . 0.0 109.238 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.94 143.2 51.0 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-O 123.067 1.413 . . . . 0.0 109.969 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.6 t -108.17 129.96 61.55 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.723 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 173.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.4 m -127.46 119.6 26.48 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.776 -1.202 . . . . 0.0 108.953 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.59 122.58 39.18 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.568 -0.708 . . . . 0.0 109.864 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.79 38.89 24.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.828 -1.17 . . . . 0.0 112.754 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.08 83.46 Favored Glycine 0 N--CA 1.502 3.094 0 O-C-N 119.97 -1.706 . . . . 0.0 112.502 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.87 136.24 54.57 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.8 158.49 33.24 Favored 'General case' 0 C--N 1.275 -2.637 0 CA-C-O 123.76 1.743 . . . . 0.0 112.429 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.6 151.4 31.48 Favored 'General case' 0 C--N 1.278 -2.516 0 CA-C-N 112.477 -2.147 . . . . 0.0 108.598 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.59 135.93 48.83 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.99 -6.72 47.32 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.711 -1.243 . . . . 0.0 110.709 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.53 12.99 31.54 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.652 -1.28 . . . . 0.0 109.356 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 90.6 p -133.12 104.16 6.37 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.171 0.986 . . . . 0.0 110.118 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.22 -37.89 72.91 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.011 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -58.91 -51.3 70.61 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.604 -1.31 . . . . 0.0 113.085 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -70.17 -32.37 70.29 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 119.614 -1.929 . . . . 0.0 109.197 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.81 -33.76 75.88 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.923 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.539 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.63 -10.44 52.23 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.698 -0.626 . . . . 0.0 109.963 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 43.0 p -89.82 -7.73 53.67 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 118.061 -1.456 . . . . 0.0 110.885 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.31 159.31 15.32 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.236 -0.915 . . . . 0.0 110.129 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.8 2.96 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 106.873 -2.491 . . . . 0.0 106.873 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.5 47.31 1.73 Allowed 'General case' 0 C--N 1.309 -1.178 0 O-C-N 120.711 -1.464 . . . . 0.0 107.454 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 1.027 HG22 HG21 ' C' ' 56' ' ' THR . 2.7 p -81.36 172.51 13.48 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 118.816 -1.153 . . . . 0.0 109.251 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.64 140.84 57.29 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.828 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.24 78.82 Favored Glycine 0 N--CA 1.5 2.935 0 C-N-CA 120.068 -1.063 . . . . 0.0 111.36 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.4 135.88 34.09 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.906 -1.349 . . . . 0.0 110.635 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.48 123.74 48.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.484 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.23 160.09 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.598 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.91 128.4 54.89 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.509 -1.37 . . . . 0.0 107.545 175.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.87 121.43 60.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.66 147.22 50.73 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 118.524 -1.27 . . . . 0.0 109.758 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.28 110.73 6.37 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 118.566 -1.254 . . . . 0.0 108.05 178.195 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.2 40.13 Favored Glycine 0 C--N 1.296 -1.663 0 C-N-CA 118.018 -2.039 . . . . 0.0 110.434 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.42 -40.62 82.97 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 114.474 -0.863 . . . . 0.0 112.167 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.04 36.76 3.56 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 115.919 -2.312 . . . . 0.0 108.537 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.36 -33.59 65.82 Favored 'General case' 0 N--CA 1.522 3.175 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.452 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.64 27.64 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 119.629 -1.919 . . . . 0.0 110.975 -176.51 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.826 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.71 97.77 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.52 77.55 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.477 -1.689 . . . . 0.0 109.985 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.75 -42.27 89.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-O 122.275 1.036 . . . . 0.0 109.257 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.95 -47.83 76.88 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-O 121.993 0.901 . . . . 0.0 108.697 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.826 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.83 -38.25 76.46 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.751 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' D' ' 377' ' ' LEU . 79.8 mt -75.67 -28.59 58.77 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.329 -1.482 . . . . 0.0 110.854 -174.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.56 -39.35 70.11 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.423 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -68.02 -49.2 62.95 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.25 84.28 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.496 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.484 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.31 85.27 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.874 -1.141 . . . . 0.0 111.548 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.81 61.59 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.103 -0.998 . . . . 0.0 110.289 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.28 45.83 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.565 -0.709 . . . . 0.0 111.358 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.725 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.05 125.54 12.39 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 124.314 2.007 . . . . 0.0 112.868 178.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.81 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 96.1 mt-10 . . . . . 0 C--N 1.278 -2.529 0 CA-C-N 111.116 -2.765 . . . . 0.0 110.116 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 8' ' ' VAL . 94.3 mt . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.538 0.209 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.88 -46.77 80.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.909 0.385 . . . . 1.9399999999999999 110.281 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -68.15 -36.63 79.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.276 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.44 HG11 HD11 ' A' ' 58' ' ' LEU . 97.2 t -63.22 -42.55 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.411 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 4' ' ' LEU . 70.0 t -60.73 -43.75 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.963 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.454 ' CE ' HD22 ' D' ' 347' ' ' LEU . 91.6 mtp -59.01 -41.75 88.48 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.559 -0.534 . . . . 0.17999999999999999 109.559 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.48 -41.25 98.05 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD13 ' OE1' ' A' ' 55' ' ' GLN . 83.5 mt -62.85 -43.16 99.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.145 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.76 -44.41 99.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.057 -0.52 . . . . 0.20000000000000001 109.738 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.521 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.0 mt -63.78 -44.64 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.01 109.992 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.74 -46.93 88.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.782 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -59.64 -43.74 93.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.972 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.26 99.71 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.4 mm-40 -64.13 -42.36 96.86 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.17 -49.82 76.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.837 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.619 HH12 ' HB2' ' A' ' 87' ' ' ALA . 62.9 ttm-85 -60.44 -46.95 88.2 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.1 p -54.82 -44.18 73.63 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.6 -42.43 98.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.708 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.6 -51.2 70.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.46 -42.5 92.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.605 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.98 92.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.809 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.89 89.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.683 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.24 -45.13 95.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.476 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -56.09 -41.87 75.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.02 -42.09 97.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.783 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.9 93.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.8 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.59 -29.44 70.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.103 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -80.59 -4.43 54.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.519 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 14.6 69.92 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.21 79.43 2.56 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.797 0.332 . . . . 0.0 110.266 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -64.63 -34.52 78.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.696 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -48.16 80.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.026 0.441 . . . . 0.0 110.803 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.81 82.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.416 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.89 81.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.35 -42.18 99.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.649 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.1 98.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.772 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.5 mmm -65.11 -40.19 94.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.487 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.596 ' HE1' HG23 ' A' ' 92' ' ' THR . 91.8 mtp -63.25 -41.23 99.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.587 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.41 -44.64 96.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 0.0 110.521 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -63.32 -41.77 98.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.243 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.2 m -60.36 -46.54 89.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.523 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 71.5 ttt180 -60.22 -42.78 95.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.237 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.4 ttp -60.74 -43.97 97.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.197 0.522 . . . . 0.0 110.553 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.68 97.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.148 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.469 HD21 ' CB ' ' A' ' 18' ' ' ALA . 92.6 mt -65.55 -40.54 92.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.639 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.06 -42.57 98.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.176 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.26 -40.02 93.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.205 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -45.66 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.45 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -61.05 -39.48 89.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.058 -0.519 . . . . 0.089999999999999997 110.443 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.6 mt -60.34 -44.4 95.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.313 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.21 -42.87 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.066 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.457 HE22 HD23 ' A' ' 74' ' ' LEU . 68.1 tp60 -60.39 -43.63 96.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.248 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 92.5 m -57.03 -43.36 81.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.059999999999999998 110.019 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.87 -39.37 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.599 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.44 HD11 HG11 ' A' ' 7' ' ' VAL . 97.8 mt -64.65 -30.31 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.67 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.407 ' CG1' HD22 ' A' ' 74' ' ' LEU . 96.5 mt -85.5 -32.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.050000000000000003 110.775 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.49 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 75' ' ' VAL . 83.9 p . . . . . 0 N--CA 1.461 0.111 0 N-CA-C 115.23 1.566 . . . . 0.0 115.23 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 72' ' ' LEU . 36.4 mt -57.74 -46.14 84.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.642 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' A' ' 8' ' ' VAL . 78.2 t -65.64 -48.08 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.547 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.457 HD23 HE22 ' A' ' 55' ' ' GLN . 85.2 mt -63.94 -42.32 97.36 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.983 0.42 . . . . 0.11 110.875 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 71' ' ' SER . 52.3 t -60.8 -47.74 91.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.806 -0.634 . . . . 0.38 110.155 -178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -59.03 -46.48 88.11 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.325 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.06 -43.28 95.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.496 -0.32 . . . . 0.059999999999999998 110.667 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.34 -40.3 95.92 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0900000000000001 110.145 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 83' ' ' THR . 40.3 tp -56.97 -46.5 82.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.404 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -67.52 -47.14 70.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.328 -0.396 . . . . 0.080000000000000002 110.722 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.32 -46.2 91.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.53 -43.43 98.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.224 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 79' ' ' LEU . 25.4 p -62.64 -44.85 95.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.073 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.3 m -62.29 -48.22 80.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.424 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -58.13 -47.83 82.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.515 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.56 -44.32 97.24 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.055 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.619 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -57.39 -47.97 80.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.784 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 69.5 ttt-85 -58.92 -45.02 91.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.092 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -60.85 -43.9 97.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.108 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -64.48 -41.93 96.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.095 0.474 . . . . 0.0 109.86 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.625 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 74.5 mt -60.14 -41.31 86.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.297 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.596 HG23 ' HE1' ' A' ' 41' ' ' MET . 68.9 m -57.26 -45.71 83.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.45 . . . . 0.0 109.902 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.23 -43.73 97.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.549 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 87.4 mt -59.98 -43.66 94.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.445 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 91.2 mt -61.76 -43.32 97.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.518 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.49 -40.11 90.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 97' ' ' LEU . 83.4 mt -62.61 -41.67 99.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.878 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 63.7 m80 -59.16 -40.5 85.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.63 -39.88 92.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.138 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.72 -37.37 87.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.393 179.802 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.644 ' O ' HG23 ' B' ' 8' ' ' VAL . 94.5 mt . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.595 0.236 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -65.17 -46.98 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.97 0.414 . . . . 1.9399999999999999 110.319 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -67.61 -36.75 81.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.198 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.432 HG11 HD11 ' B' ' 58' ' ' LEU . 98.1 t -63.42 -42.51 96.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.376 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.644 HG23 ' O ' ' B' ' 4' ' ' LEU . 70.1 t -60.89 -43.59 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.866 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.5 mtp -59.19 -41.62 88.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.535 -0.542 . . . . 0.17999999999999999 109.535 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -41.33 97.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.417 HD13 ' OE1' ' B' ' 55' ' ' GLN . 84.5 mt -62.62 -43.3 99.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.383 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.99 -44.1 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.952 -0.567 . . . . 0.28999999999999998 109.729 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.82 -44.12 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.02 109.922 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.68 -45.9 92.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -60.51 -43.29 97.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.116 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.18 -42.38 99.42 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.6 mm-40 -63.9 -42.65 97.38 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.91 -49.63 77.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.937 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.59 HH12 ' HB2' ' B' ' 87' ' ' ALA . 62.7 ttm-85 -60.49 -47.02 87.97 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 77.9 p -54.86 -44.41 73.98 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.29 -42.58 99.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.714 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.637 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.73 -51.18 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.401 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.4 -42.44 91.76 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.642 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.02 92.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.675 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.7 89.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.657 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.35 -45.5 94.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.308 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.94 -41.75 75.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.17 -42.04 97.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.944 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.61 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.695 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.0 -29.56 69.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.035 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.83 -4.29 54.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.297 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.75 14.26 70.61 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -97.87 79.54 2.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.346 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.94 -34.41 78.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.606 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.56 79.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.036 0.446 . . . . 0.0 110.798 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.77 81.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.415 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.4 -47.97 81.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.571 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.32 -42.45 99.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.613 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.11 99.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.752 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.7 mmm -65.25 -40.28 93.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.558 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.541 ' HE1' HG23 ' B' ' 92' ' ' THR . 91.7 mtp -62.92 -41.44 99.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.547 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -61.21 -45.15 95.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.93 -41.56 99.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -60.67 -46.37 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.486 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -60.36 -42.7 96.34 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.249 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -60.53 -44.34 96.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.299 0.571 . . . . 0.0 110.636 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.63 98.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.203 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' B' ' 18' ' ' ALA . 92.3 mt -65.62 -40.78 92.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.737 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.79 -42.42 97.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.335 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.49 -39.87 92.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.204 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -45.62 76.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.515 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -61.38 -39.25 89.97 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.089999999999999997 110.292 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 53' ' ' LEU . 39.3 mt -60.5 -44.07 96.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.407 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.59 -43.3 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.09 0.472 . . . . 0.0 109.965 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.455 HE22 HD23 ' B' ' 74' ' ' LEU . 68.2 tp60 -59.78 -43.8 94.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.252 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -56.93 -43.64 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.059999999999999998 110.056 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.55 -39.84 94.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.938 0.399 . . . . 0.0 110.554 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.432 HD11 HG11 ' B' ' 7' ' ' VAL . 97.1 mt -64.09 -30.76 71.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.418 ' CG1' HD22 ' B' ' 74' ' ' LEU . 96.4 mt -84.8 -32.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.103 -0.499 . . . . 0.040000000000000001 110.787 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.879 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.592 ' O ' HG23 ' B' ' 75' ' ' VAL . 88.1 p . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 121.046 0.451 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 72' ' ' LEU . 40.3 mt -59.68 -46.12 90.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.638 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' B' ' 8' ' ' VAL . 75.4 t -64.63 -47.47 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.54 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.455 HD23 HE22 ' B' ' 55' ' ' GLN . 85.5 mt -64.39 -42.05 96.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.069 0.461 . . . . 0.11 110.991 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 71' ' ' SER . 52.8 t -60.89 -47.02 95.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.862 -0.608 . . . . 0.38 110.288 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.684 ' CE1' ' HE2' ' B' ' 80' ' ' HIS . 59.1 t-80 -59.65 -46.64 88.42 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.854 -0.338 . . . . 1.1100000000000001 110.299 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.88 97.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.828 0.346 . . . . 0.059999999999999998 110.389 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.53 -40.62 97.36 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.209 -0.451 . . . . 1.0900000000000001 110.244 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.585 ' O ' HG23 ' B' ' 83' ' ' THR . 40.2 tp -56.82 -46.28 81.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.684 ' HE2' ' CE1' ' B' ' 76' ' ' HIS . 87.2 m-70 -67.77 -47.08 70.2 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.728 -0.389 . . . . 0.080000000000000002 110.72 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.34 -46.67 89.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -60.86 -43.93 97.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.257 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.585 HG23 ' O ' ' B' ' 79' ' ' LEU . 25.1 p -62.27 -45.12 94.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.116 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 71.8 m -61.81 -48.36 80.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -58.09 -47.93 81.71 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.503 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.44 -44.14 97.64 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.082 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . 0.59 ' HB2' HH12 ' B' ' 19' ' ' ARG . . . -57.75 -47.7 81.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.846 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -59.09 -44.92 91.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.187 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.91 -43.9 97.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.175 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.47 -41.69 96.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.052 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.637 HD12 ' HB1' ' B' ' 22' ' ' ALA . 76.2 mt -60.29 -41.45 87.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.278 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.541 HG23 ' HE1' ' B' ' 41' ' ' MET . 68.2 m -57.13 -45.49 83.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.098 0.475 . . . . 0.0 109.868 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.61 -43.63 96.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.548 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.563 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.9 mt -59.88 -43.62 94.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.453 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.5 mt -62.06 -43.0 97.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.51 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.75 -40.33 92.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.52 -41.27 98.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.83 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.5 m80 -59.34 -40.6 86.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.53 -39.9 92.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.063 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.92 -37.18 86.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.207 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.373 179.754 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.654 ' O ' HG23 ' C' ' 8' ' ' VAL . 94.2 mt . . . . . 0 N--CA 1.457 -0.125 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -65.18 -46.57 80.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 1.9399999999999999 110.373 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -67.97 -36.61 80.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.288 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.428 HG11 HD11 ' C' ' 58' ' ' LEU . 94.4 t -63.43 -42.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.315 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.654 HG23 ' O ' ' C' ' 4' ' ' LEU . 70.9 t -60.97 -43.53 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.991 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mtp -59.27 -41.42 88.84 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.591 -0.522 . . . . 0.17999999999999999 109.591 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.59 -41.5 97.8 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.41 HD13 ' OE1' ' C' ' 55' ' ' GLN . 84.9 mt -62.85 -43.0 99.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.92 -44.38 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.549 . . . . 0.29999999999999999 109.78 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.73 -44.31 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.02 110.001 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.1 -46.5 90.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.872 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -60.13 -43.34 95.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.225 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.9 99.32 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -64.37 -42.39 96.19 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.24 -49.52 77.51 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.604 HH12 ' HB2' ' C' ' 87' ' ' ALA . 63.0 ttm-85 -60.59 -47.0 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.8 p -55.03 -44.01 74.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.53 -42.4 98.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.744 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -60.04 -50.77 72.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.72 -42.57 93.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.547 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.79 92.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.746 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.77 89.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.578 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.51 -45.31 94.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.398 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -56.0 -41.68 75.25 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.37 -41.81 97.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.907 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.13 93.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.858 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.62 -29.4 70.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.081 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.57 -4.35 53.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.426 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.81 14.34 70.25 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.2 79.4 2.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.8 0.333 . . . . 0.0 110.231 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.57 -34.68 78.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.518 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.92 81.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.982 0.42 . . . . 0.0 110.628 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.46 80.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.395 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.89 80.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.429 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.13 -42.44 99.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.597 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.26 99.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.729 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.3 mmm -65.34 -40.37 93.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.54 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.568 ' HE1' HG23 ' C' ' 92' ' ' THR . 91.9 mtp -62.82 -41.42 99.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.36 -45.19 95.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 0.0 110.384 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.95 -41.45 99.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.311 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m -60.76 -46.24 91.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.545 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.407 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 72.2 ttt180 -60.45 -42.79 96.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.329 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.7 ttp -60.47 -44.45 95.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.342 0.591 . . . . 0.0 110.54 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.66 97.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.305 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' C' ' 18' ' ' ALA . 92.2 mt -64.65 -41.05 96.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.688 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.75 -42.88 98.26 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.305 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -64.9 -40.13 94.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.991 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.8 76.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.396 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.569 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.2 t-80 -61.49 -39.0 89.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.089999999999999997 110.301 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.53 -44.01 96.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.267 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.57 -43.16 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.105 0.478 . . . . 0.0 109.99 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.469 HE22 HD23 ' C' ' 74' ' ' LEU . 68.1 tp60 -60.05 -43.71 95.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.182 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.867 HG21 HG22 ' D' ' 356' ' ' THR . 94.1 m -57.05 -43.42 81.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.375 -0.375 . . . . 0.059999999999999998 110.093 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . 0.545 ' NZ ' HG21 ' D' ' 356' ' ' THR . 14.5 mptt -62.97 -39.2 93.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.491 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' C' ' 4' ' ' LEU . 97.3 mt -64.58 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.728 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.426 ' CG1' HD22 ' C' ' 74' ' ' LEU . 96.5 mt -85.22 -32.57 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.999 -0.546 . . . . 0.059999999999999998 110.748 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.583 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 80.0 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.437 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 CA--C 1.519 -0.237 0 CA-C-O 120.591 0.234 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.573 HG13 HG21 ' C' ' 8' ' ' VAL . 68.5 t -66.73 -47.97 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 130.109 3.364 . . . . 0.0 110.572 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.469 HD23 HE22 ' C' ' 55' ' ' GLN . 85.7 mt -66.36 -41.64 89.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.11 111.004 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.26 -47.7 92.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.883 -0.599 . . . . 0.40000000000000002 110.242 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.675 ' CE1' ' HE2' ' C' ' 80' ' ' HIS . 59.1 t-80 -59.5 -46.64 88.24 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.876 -0.33 . . . . 1.02 110.241 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.79 96.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.941 0.4 . . . . 0.059999999999999998 110.458 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.68 -40.51 97.33 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0900000000000001 110.249 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.594 ' O ' HG23 ' C' ' 83' ' ' THR . 39.2 tp -56.65 -46.49 81.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.498 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.675 ' HE2' ' CE1' ' C' ' 76' ' ' HIS . 87.1 m-70 -67.68 -47.16 70.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.080000000000000002 110.755 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.32 -46.29 90.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.797 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.38 -43.49 98.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.393 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.594 HG23 ' O ' ' C' ' 79' ' ' LEU . 26.4 p -62.44 -45.19 94.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.147 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 70.1 m -61.93 -48.16 81.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.655 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -58.11 -48.08 81.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.56 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.29 -44.43 97.24 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.097 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . 0.604 ' HB2' HH12 ' C' ' 19' ' ' ARG . . . -57.33 -48.01 80.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.918 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 69.1 ttt-85 -58.86 -45.13 90.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.22 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.35 -44.42 95.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.157 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.2 -41.83 96.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 110.033 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.6 mt -60.08 -41.7 87.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.363 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.568 HG23 ' HE1' ' C' ' 41' ' ' MET . 69.8 m -56.79 -45.67 82.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.025 0.44 . . . . 0.0 109.992 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.47 -43.58 96.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.499 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.574 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.2 mt -59.91 -43.6 94.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.302 0.572 . . . . 0.0 109.523 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.449 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 90.8 mt -61.95 -43.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.523 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.66 -40.41 91.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.23 -41.53 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.919 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.9 m80 -59.23 -40.79 87.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.726 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' C' ' 103' ' ' ALA . 81.9 tt0 -61.35 -39.64 91.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.095 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.04 -37.45 87.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.222 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.31 135.21 50.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 56.12 14.89 1.61 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.579 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 121.856 0.836 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.81 142.99 36.63 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.99 156.33 38.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.974 -1.079 . . . . 0.0 109.5 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.24 28.56 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.33 18.96 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.067 -1.021 . . . . 0.0 108.347 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.81 144.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.7 136.6 37.01 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.096 0.95 . . . . 0.0 110.15 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.95 114.33 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.89 -4.32 19.3 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.86 85.85 Favored Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 119.706 -1.871 . . . . 0.0 110.594 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.48 -47.68 12.84 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 124.709 3.606 . . . . 0.0 114.178 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.569 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 97.6 m-20 -102.1 27.52 6.56 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 116.04 -2.264 . . . . 0.0 108.783 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.18 -123.96 24.51 Favored Glycine 0 N--CA 1.497 2.761 0 C-N-CA 117.627 -2.225 . . . . 0.0 109.577 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.719 HD11 HD23 ' D' ' 384' ' ' LEU . 3.0 tp -129.97 81.58 2.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.905 -1.35 . . . . 0.0 109.514 -176.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -85.45 174.62 9.38 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.865 -1.534 . . . . 0.0 112.173 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 69.8 p -26.41 -58.36 0.08 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -53.94 -64.72 1.61 Allowed Pre-proline 0 N--CA 1.492 1.633 0 C-N-CA 120.212 -0.595 . . . . 0.0 112.5 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.45 -32.23 60.31 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.156 1.904 . . . . 0.0 111.539 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.481 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.81 86.7 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.525 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.521 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.68 72.42 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.96 -39.37 93.99 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 117.968 -1.493 . . . . 0.0 109.442 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.72 -45.31 93.34 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 122.622 1.201 . . . . 0.0 108.702 -177.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.481 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.3 t -62.57 -42.27 95.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.238 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.708 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -63.91 -40.25 96.05 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.269 -0.894 . . . . 0.0 109.737 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.527 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.8 -39.72 79.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.387 -0.82 . . . . 0.0 109.564 177.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.0 91.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.659 -1.276 . . . . 0.0 109.448 178.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.28 -16.25 43.64 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.44 86.2 Favored Glycine 0 N--CA 1.479 1.509 0 O-C-N 119.885 -1.759 . . . . 0.0 109.299 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.423 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.54 143.32 32.89 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.245 -1.738 . . . . 0.0 109.996 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.59 -30.05 59.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.18 -0.95 . . . . 0.0 112.377 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.52 10.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 119.799 -1.813 . . . . 0.0 112.751 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.27 35.39 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 102.877 -3.008 . . . . 0.0 102.877 171.179 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.7 136.55 60.47 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 O-C-N 121.125 -0.985 . . . . 0.0 109.314 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.94 143.12 51.04 Favored 'General case' 0 C--N 1.284 -2.239 0 CA-C-O 123.102 1.43 . . . . 0.0 110.014 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.02 129.91 61.4 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.71 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.3 m -127.47 119.55 26.36 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.965 -1.084 . . . . 0.0 108.95 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.47 122.57 39.26 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.591 -0.693 . . . . 0.0 109.993 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.76 38.96 24.44 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.868 -1.145 . . . . 0.0 112.778 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 10.97 83.66 Favored Glycine 0 N--CA 1.502 3.092 0 O-C-N 119.859 -1.776 . . . . 0.0 112.552 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.29 54.53 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.82 158.55 33.12 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-O 123.751 1.739 . . . . 0.0 112.399 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.38 31.36 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 112.416 -2.175 . . . . 0.0 108.515 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 135.99 48.79 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.02 -6.78 47.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.78 -1.2 . . . . 0.0 110.717 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.47 13.02 31.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.674 -1.266 . . . . 0.0 109.433 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.5 t -133.13 104.12 6.35 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.096 0.951 . . . . 0.0 110.1 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.454 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.3 tp -57.26 -37.9 73.05 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.941 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -58.83 -51.38 70.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.529 -1.357 . . . . 0.0 113.118 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.44 70.51 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 119.541 -1.975 . . . . 0.0 109.16 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.75 -33.84 75.98 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.927 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.583 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.62 -10.45 52.2 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.64 -0.663 . . . . 0.0 109.937 -177.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.9 p -89.77 -7.65 53.95 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 118.125 -1.43 . . . . 0.0 110.954 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.44 159.3 15.31 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.209 -0.932 . . . . 0.0 110.096 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 106.893 -2.483 . . . . 0.0 106.893 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.5 mt -119.62 47.34 1.73 Allowed 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.7 -1.471 . . . . 0.0 107.413 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.867 HG22 HG21 ' C' ' 56' ' ' THR . 2.7 p -81.4 172.55 13.41 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.222 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.62 140.89 57.24 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.893 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.22 78.82 Favored Glycine 0 N--CA 1.5 2.922 0 C-N-CA 120.033 -1.079 . . . . 0.0 111.313 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.46 135.93 34.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.909 -1.348 . . . . 0.0 110.572 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.52 123.69 48.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.17 160.12 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 117.364 -1.734 . . . . 0.0 110.632 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.5 m -108.88 128.39 54.88 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.48 -1.387 . . . . 0.0 107.556 175.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.89 121.37 60.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.57 147.24 50.7 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -179.561 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.18 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.404 -1.318 . . . . 0.0 109.737 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.13 110.79 6.44 Favored 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 118.608 -1.237 . . . . 0.0 108.045 178.187 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.3 40.14 Favored Glycine 0 C--N 1.295 -1.701 0 C-N-CA 117.994 -2.051 . . . . 0.0 110.331 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.41 -40.67 83.09 Favored 'General case' 0 C--N 1.276 -2.6 0 CA-C-N 114.347 -0.926 . . . . 0.0 112.142 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -113.99 36.86 3.5 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 115.87 -2.332 . . . . 0.0 108.646 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.61 65.9 Favored 'General case' 0 N--CA 1.522 3.132 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.476 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.57 27.47 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 119.619 -1.925 . . . . 0.0 110.972 -176.54 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.785 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.5 -40.78 97.98 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.51 77.59 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 117.506 -1.678 . . . . 0.0 109.996 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.79 -42.24 89.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-O 122.206 1.003 . . . . 0.0 109.274 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.9 -47.98 76.46 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-O 122.075 0.94 . . . . 0.0 108.723 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.785 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.73 -38.4 76.85 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.697 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.54 -28.66 59.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.408 -1.432 . . . . 0.0 110.837 -174.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.49 70.93 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.508 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.2 63.34 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.527 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.27 84.27 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.01 -1.076 . . . . 0.0 110.491 177.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.32 -37.43 85.57 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.901 -1.124 . . . . 0.0 111.487 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.82 -31.83 61.8 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.136 -0.977 . . . . 0.0 110.32 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.35 45.87 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.482 -0.761 . . . . 0.0 111.35 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.719 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.06 125.46 12.22 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 124.394 2.045 . . . . 0.0 112.871 178.686 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.8 mt-10 . . . . . 0 C--N 1.278 -2.536 0 CA-C-N 111.084 -2.78 . . . . 0.0 110.186 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.2 mt . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.93 -46.13 82.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.908 0.385 . . . . 1.9399999999999999 110.197 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -67.37 -36.18 80.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.251 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 58' ' ' LEU . 91.2 t -63.79 -42.59 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.431 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 4' ' ' LEU . 84.6 t -60.44 -44.19 95.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.973 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.501 ' CE ' HD22 ' D' ' 347' ' ' LEU . 89.9 mtp -58.88 -42.39 89.36 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.465 -0.568 . . . . 0.17999999999999999 109.465 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -41.51 98.56 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.407 HD13 ' NE2' ' A' ' 55' ' ' GLN . 83.9 mt -62.89 -43.17 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.226 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.11 -43.98 99.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.022 -0.535 . . . . 0.20000000000000001 109.77 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.552 HD11 ' HB1' ' D' ' 320' ' ' ALA . 92.5 mt -64.02 -44.4 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.01 109.978 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.508 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 48.6 t-20 -61.16 -46.22 91.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.724 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -60.0 -44.11 94.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.929 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.84 -41.81 99.79 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.536 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 92.7 mm-40 -64.48 -42.58 95.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.565 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.59 -49.4 77.6 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.854 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.53 -46.43 90.2 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.3 m -54.76 -43.85 73.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.08 -42.78 99.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.723 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.587 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.57 -50.74 72.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.54 -42.51 92.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.598 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.73 92.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.752 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.34 86.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.663 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.23 -45.27 95.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.434 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.73 -42.11 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.86 -41.87 96.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.795 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.61 92.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.75 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.75 -29.69 69.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.161 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.7 -4.32 55.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.488 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.85 17.16 63.96 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.34 78.85 2.07 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.718 0.294 . . . . 0.0 110.286 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -64.7 -34.36 78.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.34 75.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.132 0.491 . . . . 0.0 110.788 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.83 82.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.302 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.98 -48.47 78.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.46 -43.41 98.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.645 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.34 99.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.814 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.34 -40.35 93.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.492 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.487 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 91.2 mmm -63.93 -40.87 97.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.663 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.25 -44.23 97.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.014 0.435 . . . . 0.0 110.505 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.97 -40.46 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.161 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 t -61.8 -45.75 92.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.509 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 70.5 ttt180 -60.47 -42.56 96.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.345 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.8 ttp -60.57 -44.66 95.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.237 0.542 . . . . 0.0 110.579 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.02 97.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.217 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.565 HD21 ' CB ' ' A' ' 18' ' ' ALA . 96.5 mt -65.29 -40.32 93.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.618 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.38 -42.04 98.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.359 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -65.49 -40.2 92.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.198 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.508 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.13 -45.02 78.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.441 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -61.7 -39.02 89.99 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.019 -0.537 . . . . 0.089999999999999997 110.373 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.0 mt -60.35 -44.07 95.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.91 -42.73 92.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.997 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.549 ' NE2' ' HB1' ' A' ' 77' ' ' ALA . 11.2 tp-100 -60.86 -43.11 98.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.281 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.3 m -56.88 -42.99 80.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.059999999999999998 110.087 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.89 -40.22 92.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.528 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.547 HD22 HD22 ' A' ' 4' ' ' LEU . 96.4 mt -68.69 -39.7 80.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.65 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.58 -40.35 84.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.050000000000000003 110.853 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.501 -179.077 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.588 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.8 p . . . . . 0 N--CA 1.461 0.121 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 72' ' ' LEU . 33.5 mt -57.89 -45.63 86.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.573 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 8' ' ' VAL . 78.1 t -64.55 -48.5 84.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.905 0.383 . . . . 0.0 110.588 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.9 -42.06 97.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.184 -0.462 . . . . 0.11 110.895 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 71' ' ' SER . 56.0 t -59.51 -47.31 91.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.749 -0.66 . . . . 0.38 110.227 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -59.68 -44.99 93.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.848 0.356 . . . . 0.0 110.347 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HB1' ' NE2' ' A' ' 55' ' ' GLN . . . -64.19 -43.54 94.76 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.427 -0.352 . . . . 0.059999999999999998 110.67 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -62.48 -39.79 94.6 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.195 -0.457 . . . . 1.0900000000000001 110.201 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 83' ' ' THR . 47.5 tp -56.27 -46.46 79.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.392 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -67.78 -46.01 73.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.668 -0.413 . . . . 0.080000000000000002 110.71 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.08 -46.57 90.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.823 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.1 mmt -61.57 -43.34 99.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.204 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.8 p -63.57 -46.98 83.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.088 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.8 t -62.54 -48.61 78.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.9 tpp -57.47 -48.54 78.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.533 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.06 -44.37 97.49 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.156 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.47 79.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.847 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 70.8 ttt-85 -58.43 -46.23 86.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.146 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.43 -44.08 96.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.064 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.98 -42.07 97.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.094 0.473 . . . . 0.0 109.83 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.587 HD12 ' HB1' ' A' ' 22' ' ' ALA . 73.3 mt -60.68 -42.61 92.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.487 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.4 m -57.22 -45.8 83.54 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.63 -0.428 . . . . 0.0 109.901 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.52 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.6 mt-10 -63.78 -43.06 97.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.485 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.466 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 79.2 mt -59.76 -43.31 94.38 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.93 -42.83 94.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.512 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -62.48 -38.39 89.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 97' ' ' LEU . 37.7 mt -62.7 -42.04 99.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.857 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.6 m80 -60.34 -39.16 86.12 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.19 -39.1 91.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.179 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.61 -39.61 94.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.148 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.363 179.701 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.622 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.3 mt . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.578 0.228 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.03 -46.04 82.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 1.9399999999999999 110.379 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -67.21 -36.14 81.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.232 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.498 HG11 HD11 ' B' ' 58' ' ' LEU . 92.5 t -63.83 -42.35 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.622 HG23 ' O ' ' B' ' 4' ' ' LEU . 83.6 t -60.89 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.878 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mtp -59.01 -42.06 89.24 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.575 -0.528 . . . . 0.17999999999999999 109.575 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.42 98.12 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.91 -43.05 99.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 110.398 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.2 -43.96 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.958 -0.565 . . . . 0.28999999999999998 109.695 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.15 -44.45 97.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.918 -0.583 . . . . 0.02 109.902 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 48.3 t-20 -61.06 -46.04 92.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.809 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.6 t -60.2 -44.1 95.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.124 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -41.64 99.83 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.33 -43.02 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.546 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.32 -49.2 78.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.922 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.79 -45.89 92.62 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.9 m -55.27 -43.6 74.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.26 -43.01 99.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.677 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.589 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.37 -50.98 71.89 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.37 -42.44 91.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.691 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.18 93.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.737 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.33 85.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.621 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.24 -45.55 94.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.301 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.51 -42.2 74.15 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.72 -41.75 95.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.866 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.68 93.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.685 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.71 -29.75 69.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.059 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.78 -4.04 55.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.42 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.59 17.12 64.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.28 78.77 2.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.815 0.341 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.58 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -49.15 76.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.064 0.459 . . . . 0.0 110.814 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.66 81.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.72 77.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.628 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.1 -43.67 98.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.6 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.41 99.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.21 -40.57 94.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.476 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 91.3 mmm -63.71 -40.84 97.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.587 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.31 -44.49 96.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.477 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.47 -40.41 96.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.29 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 43.8 t -61.96 -45.87 91.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.405 ' HB2' ' NH2' ' B' ' 88' ' ' ARG . 70.2 ttt180 -60.48 -42.52 96.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.251 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 55.2 ttp -60.48 -44.8 95.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.285 0.564 . . . . 0.0 110.653 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.97 97.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.148 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.546 HD21 ' CB ' ' B' ' 18' ' ' ALA . 96.4 mt -65.51 -40.35 92.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.69 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.43 -41.39 97.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.394 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.95 -40.35 91.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.154 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.496 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.06 -45.27 77.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.433 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -61.38 -39.1 89.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.089999999999999997 110.254 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.7 mt -60.49 -44.06 96.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.412 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.62 -43.45 93.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 110.074 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.581 ' NE2' ' HB1' ' B' ' 77' ' ' ALA . 11.3 tp-100 -60.04 -43.75 95.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.3 m -56.37 -43.15 78.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.059999999999999998 109.955 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.14 -39.81 91.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.918 0.389 . . . . 0.0 110.529 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.526 HD22 HD22 ' B' ' 4' ' ' LEU . 97.9 mt -68.91 -39.5 79.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.75 -40.36 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.038 -0.528 . . . . 0.040000000000000001 110.798 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.617 -179.291 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.629 ' O ' HG23 ' B' ' 75' ' ' VAL . 99.0 p . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 121.036 0.446 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 72' ' ' LEU . 36.9 mt -60.27 -45.4 93.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.545 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.561 HG13 HG21 ' B' ' 8' ' ' VAL . 73.9 t -63.6 -47.98 88.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.764 0.316 . . . . 0.0 110.573 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.24 -41.89 96.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.136 0.493 . . . . 0.11 110.984 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 71' ' ' SER . 56.1 t -59.41 -47.16 91.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.343 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.635 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.5 t-80 -59.47 -45.91 90.27 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.854 -0.338 . . . . 1.1100000000000001 110.317 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.581 ' HB1' ' NE2' ' B' ' 55' ' ' GLN . . . -63.38 -43.68 96.91 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.864 0.364 . . . . 0.059999999999999998 110.409 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.49 -39.98 95.24 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.124 -0.489 . . . . 1.0900000000000001 110.216 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 83' ' ' THR . 46.5 tp -56.2 -46.6 79.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.363 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.635 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 69.5 m-70 -67.62 -45.89 74.07 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.681 -0.408 . . . . 0.080000000000000002 110.796 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.35 -46.34 90.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 19.4 mmt -61.81 -43.52 98.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.236 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.1 p -63.17 -47.02 84.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.133 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -62.36 -48.95 77.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.673 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.6 tpp -57.05 -48.92 77.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.412 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.83 -44.46 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.118 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.33 80.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.942 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' B' ' 45' ' ' ARG . 71.4 ttt-85 -58.87 -45.76 89.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.275 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.67 -43.99 97.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.219 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.95 -42.16 97.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.029 0.442 . . . . 0.0 109.984 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.589 HD12 ' HB1' ' B' ' 22' ' ' ALA . 73.4 mt -60.67 -42.57 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.195 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.476 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 16.2 m -57.11 -46.12 82.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.061 0.458 . . . . 0.0 109.919 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.4 mt-10 -63.63 -42.45 98.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.49 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.52 HD13 ' OE1' ' A' ' 93' ' ' GLU . 78.5 mt -60.43 -43.2 97.04 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.09 -42.84 94.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.554 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -62.17 -38.97 91.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.1 mt -62.31 -42.12 99.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.834 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.3 m80 -60.24 -39.31 86.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.723 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.16 -39.03 91.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.056 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.7 -39.49 94.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.115 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.383 179.631 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.639 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.5 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.568 0.223 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.03 -45.95 83.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 1.9399999999999999 110.424 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -67.43 -35.86 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.489 HG11 HD11 ' C' ' 58' ' ' LEU . 91.8 t -63.95 -42.62 96.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.372 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.639 HG23 ' O ' ' C' ' 4' ' ' LEU . 84.7 t -60.71 -43.92 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.029 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.1 -42.07 89.63 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.539 -0.541 . . . . 0.17999999999999999 109.539 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.16 -41.59 98.33 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.409 HD13 ' NE2' ' C' ' 55' ' ' GLN . 84.8 mt -62.72 -42.96 99.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.969 0.414 . . . . 0.0 110.388 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.3 -44.1 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.556 . . . . 0.29999999999999999 109.707 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.99 -44.26 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.02 110.053 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.488 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 48.9 t-20 -61.38 -46.24 91.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.719 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -59.79 -44.29 94.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.1 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.83 99.78 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.2 -42.9 96.44 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.546 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.28 -49.56 76.69 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.56 -46.16 91.24 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 64.6 m -54.93 -43.89 73.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.97 -42.71 99.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.778 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.581 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.81 -50.57 73.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.62 -42.74 93.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.549 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.94 92.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.732 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.35 86.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.615 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.25 -45.32 95.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.374 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.67 -42.18 74.76 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.74 -41.82 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.966 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.26 92.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.776 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.06 -29.56 69.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.123 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -81.84 -4.29 56.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.469 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 17.3 63.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -100.34 78.65 2.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.782 0.325 . . . . 0.0 110.308 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -64.64 -34.57 78.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -48.76 78.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 0.0 110.646 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.65 81.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.16 79.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.522 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.5 -43.67 98.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.572 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.53 99.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 87.9 mmm -65.28 -40.49 93.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.487 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 91.3 mmm -63.72 -41.05 98.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.33 -44.2 97.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.408 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.71 -40.22 96.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.294 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -62.25 -45.89 91.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.449 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.409 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 70.0 ttt180 -60.37 -42.43 95.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.35 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 56.9 ttp -60.61 -44.95 95.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.316 0.579 . . . . 0.0 110.518 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.64 98.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.546 HD21 ' CB ' ' C' ' 18' ' ' ALA . 95.1 mt -64.83 -40.8 95.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.718 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.1 -41.79 97.33 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.367 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.65 -40.22 92.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.078 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.488 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.16 -45.5 76.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.397 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.563 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.4 t60 -61.21 -38.84 88.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.089999999999999997 110.282 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.82 -43.89 97.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.352 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.6 -43.46 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.031 0.443 . . . . 0.0 109.967 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.579 ' NE2' ' HB1' ' C' ' 77' ' ' ALA . 11.3 tp-100 -60.11 -43.75 95.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.273 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.811 HG21 HG22 ' D' ' 356' ' ' THR . 16.0 m -56.3 -43.15 78.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.059999999999999998 110.197 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.13 -39.76 91.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.504 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.531 HD22 HD22 ' C' ' 4' ' ' LEU . 96.6 mt -68.88 -39.46 79.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.822 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.73 -40.2 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.059999999999999998 110.836 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.593 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 79.2 mm-40 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.461 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.641 0.258 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.581 HG13 HG21 ' C' ' 8' ' ' VAL . 69.5 t -65.07 -48.48 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 130.053 3.341 . . . . 0.0 110.645 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.93 -41.72 90.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.072 0.463 . . . . 0.11 111.043 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.94 -47.42 91.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.749 -0.66 . . . . 0.40000000000000002 110.297 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.623 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.5 t-80 -59.73 -45.77 91.17 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.914 -0.314 . . . . 1.02 110.242 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.579 ' HB1' ' NE2' ' C' ' 55' ' ' GLN . . . -63.64 -43.43 96.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.896 0.379 . . . . 0.059999999999999998 110.41 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.79 -39.72 95.13 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.251 -0.432 . . . . 1.0900000000000001 110.311 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.504 ' O ' HG23 ' C' ' 83' ' ' THR . 46.3 tp -56.28 -46.51 79.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.499 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.623 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 69.7 m-70 -67.68 -46.06 73.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.399 . . . . 0.080000000000000002 110.76 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.11 -46.68 89.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.792 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 19.6 mmt -61.47 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.358 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.504 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.6 p -63.82 -46.61 84.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.152 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.81 -48.79 77.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.6 tpp -56.98 -48.72 77.73 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.694 0.283 . . . . 0.0 110.505 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.11 -44.37 97.44 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.115 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.09 -48.05 81.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.969 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.409 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 70.7 ttt-85 -59.01 -45.77 89.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.23 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.48 -44.25 96.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.168 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.92 -42.13 97.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.189 0.519 . . . . 0.0 110.008 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.581 HD12 ' HB1' ' C' ' 22' ' ' ALA . 73.4 mt -60.65 -42.5 92.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.406 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.487 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 16.8 m -57.08 -46.14 82.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.47 . . . . 0.0 110.011 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.62 -42.73 98.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.509 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' B' ' 93' ' ' GLU . 79.1 mt -60.07 -43.27 95.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.89 -42.95 94.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.597 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -62.04 -39.14 91.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.135 0.493 . . . . 0.0 109.763 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.7 mt -62.11 -42.02 98.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.912 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.5 m80 -60.56 -39.0 86.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.705 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.2 tt0 -62.07 -39.38 92.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.117 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.33 -39.33 94.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.256 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.63 -41.59 96.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.386 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.3 mttt -90.64 140.99 29.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.489 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.502 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.53 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.217 -0.656 0 CA-C-O 121.866 0.841 . . . . 0.0 108.929 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.04 36.63 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.25 38.42 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.104 -0.998 . . . . 0.0 109.498 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.12 28.44 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.29 18.95 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.101 -0.999 . . . . 0.0 108.416 178.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.75 136.65 37.0 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.189 0.995 . . . . 0.0 110.076 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.97 114.33 24.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.89 -4.36 19.26 Favored 'General case' 0 C--N 1.264 -3.128 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.819 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.46 141.8 85.91 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 119.691 -1.881 . . . . 0.0 110.632 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.53 -47.65 12.98 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 124.717 3.612 . . . . 0.0 114.159 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.563 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 97.8 m-20 -102.11 27.46 6.62 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 116.076 -2.25 . . . . 0.0 108.803 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 64.95 -132.28 36.81 Favored Glycine 0 N--CA 1.496 2.683 0 C-N-CA 117.675 -2.202 . . . . 0.0 109.559 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 9.4 tp -119.25 80.77 1.61 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.927 -1.337 . . . . 0.0 109.469 -176.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -86.72 175.41 8.27 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 117.804 -1.559 . . . . 0.0 112.231 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 81.4 p -25.08 -68.49 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 -177.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.536 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 9.4 ttt-85 -47.34 -64.51 1.0 Allowed Pre-proline 0 N--CA 1.494 1.745 0 C-N-CA 120.124 -0.63 . . . . 0.0 112.477 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.39 -32.29 60.82 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 C-N-CA 121.884 1.723 . . . . 0.0 111.519 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.437 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.9 -38.81 86.95 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.275 -0.891 . . . . 0.0 109.527 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.98 -39.7 72.35 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.99 -39.41 94.05 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.019 -1.473 . . . . 0.0 109.443 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.29 93.44 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.596 1.188 . . . . 0.0 108.684 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.437 HG23 ' O ' ' D' ' 319' ' ' ALA . 54.9 t -62.62 -42.36 95.69 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.289 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.642 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.438 ' HZ1' HD12 ' A' ' 13' ' ' ILE . 91.7 mttt -63.86 -40.2 96.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.236 -0.915 . . . . 0.0 109.84 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.527 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.7 80.13 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.46 -0.775 . . . . 0.0 109.595 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.91 92.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.593 -1.317 . . . . 0.0 109.42 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.29 -16.26 43.8 Favored 'General case' 0 N--CA 1.511 2.579 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.61 86.03 Favored Glycine 0 N--CA 1.478 1.445 0 O-C-N 119.909 -1.744 . . . . 0.0 109.355 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.422 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.41 143.29 32.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.3 -1.706 . . . . 0.0 110.037 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.5 p -75.58 -30.08 59.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.272 -0.892 . . . . 0.0 112.348 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.72 158.57 10.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 119.885 -1.759 . . . . 0.0 112.831 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.2 35.31 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 102.805 -3.035 . . . . 0.0 102.805 171.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.59 60.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.386 0 CA-C-O 122.207 1.004 . . . . 0.0 109.28 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.92 143.24 50.97 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-O 123.085 1.422 . . . . 0.0 109.948 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.0 t -108.12 129.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.771 0 N-CA-C 105.534 -2.025 . . . . 0.0 105.534 173.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.46 119.59 26.44 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.891 -1.131 . . . . 0.0 108.989 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.52 122.59 39.28 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.56 -0.713 . . . . 0.0 109.914 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.76 38.91 24.3 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.965 -1.085 . . . . 0.0 112.757 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.99 83.54 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 119.959 -1.713 . . . . 0.0 112.516 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.81 136.28 54.53 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.77 158.55 33.03 Favored 'General case' 0 C--N 1.276 -2.63 0 CA-C-O 123.775 1.75 . . . . 0.0 112.468 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.41 31.46 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 112.493 -2.139 . . . . 0.0 108.582 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.63 135.99 48.81 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.05 -6.76 47.72 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.608 -1.307 . . . . 0.0 110.657 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.46 12.92 31.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.648 -1.282 . . . . 0.0 109.382 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.8 t -133.07 104.19 6.4 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 122.14 0.971 . . . . 0.0 110.154 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.501 HD22 ' CE ' ' A' ' 9' ' ' MET . 53.9 tp -57.3 -37.85 73.08 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.969 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -58.88 -51.33 70.47 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.61 -1.306 . . . . 0.0 113.081 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.41 70.46 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 119.594 -1.942 . . . . 0.0 109.234 -178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.77 -33.74 75.8 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.95 -1.1 . . . . 0.0 109.982 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.593 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.66 -10.47 52.56 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.675 -0.641 . . . . 0.0 109.895 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.9 p -89.81 -7.73 53.69 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 118.077 -1.449 . . . . 0.0 110.919 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.32 159.35 15.3 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.197 -0.939 . . . . 0.0 110.208 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.75 2.96 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.54 47.39 1.72 Allowed 'General case' 0 C--N 1.308 -1.224 0 O-C-N 120.798 -1.413 . . . . 0.0 107.439 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.811 HG22 HG21 ' C' ' 56' ' ' THR . 3.4 p -81.44 172.56 13.38 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.781 -1.168 . . . . 0.0 109.254 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.7 140.92 57.34 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.289 -0.965 . . . . 0.0 109.904 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.25 78.91 Favored Glycine 0 N--CA 1.501 2.98 0 C-N-CA 120.03 -1.081 . . . . 0.0 111.408 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.44 135.86 34.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.93 -1.335 . . . . 0.0 110.634 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.48 123.7 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.17 160.07 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 C-N-CA 117.418 -1.713 . . . . 0.0 110.635 178.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.87 128.44 54.91 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 120.604 -1.31 . . . . 0.0 107.542 175.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.91 121.38 60.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.18 50.7 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -179.521 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.71 153.47 47.24 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.697 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.53 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.8 6.42 Favored 'General case' 0 C--N 1.288 -2.07 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.04 178.163 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.34 40.16 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 118.001 -2.047 . . . . 0.0 110.392 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.43 -40.57 82.91 Favored 'General case' 0 C--N 1.275 -2.661 0 CA-C-N 114.349 -0.926 . . . . 0.0 112.169 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.05 36.79 3.55 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 118.94 -2.35 . . . . 0.0 108.594 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.4 -33.47 65.81 Favored 'General case' 0 N--CA 1.522 3.138 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -174.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.464 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.96 -45.57 27.15 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 119.657 -1.902 . . . . 0.0 110.987 -176.569 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.834 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.84 98.17 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.45 77.82 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 117.435 -1.706 . . . . 0.0 110.061 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.2 t -66.8 -42.2 88.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-O 122.278 1.037 . . . . 0.0 109.347 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.85 -47.96 76.34 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.105 0.955 . . . . 0.0 108.765 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.834 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.8 m-70 -69.75 -38.33 76.76 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.72 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.61 -28.66 58.95 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.457 -1.402 . . . . 0.0 110.899 -174.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.37 -39.51 71.95 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.446 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.26 62.88 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.527 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.24 -45.25 84.12 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.532 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.35 -37.34 85.29 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.884 -1.135 . . . . 0.0 111.532 -177.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -75.0 -31.72 61.47 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.203 -0.936 . . . . 0.0 110.313 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.94 -32.17 45.42 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.529 -0.732 . . . . 0.0 111.39 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.11 125.47 12.31 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 124.305 2.003 . . . . 0.0 112.87 178.632 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.819 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.1 mm-40 . . . . . 0 C--N 1.276 -2.592 0 CA-C-N 111.214 -2.721 . . . . 0.0 110.136 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.689 ' O ' HG23 ' A' ' 8' ' ' VAL . 94.5 mt . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.09 -46.72 79.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.894 0.378 . . . . 1.9399999999999999 110.292 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.51 -35.66 77.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.311 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.48 HG11 HD11 ' A' ' 58' ' ' LEU . 90.9 t -64.36 -41.61 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.413 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 4' ' ' LEU . 78.7 t -61.18 -44.04 97.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.876 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 86.4 mtp -58.7 -42.35 88.4 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.484 -0.562 . . . . 0.17999999999999999 109.484 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.04 97.82 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.31 -43.36 98.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.221 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.0 -44.64 99.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.20000000000000001 109.747 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.1 -44.27 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.529 . . . . 0.01 109.979 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.2 t-20 -61.1 -46.79 89.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.766 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -59.92 -43.39 94.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.018 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.563 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.14 -42.22 99.52 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -64.32 -43.05 95.88 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.05 75.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.822 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -60.07 -46.74 88.57 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -54.36 -43.96 71.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.52 -42.11 98.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.757 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.08 -50.47 73.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -59.73 -41.56 91.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.651 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.3 92.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.73 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.32 85.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.652 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.8 -45.03 96.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.402 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.48 -42.08 77.68 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -61.62 -44.21 97.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.817 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.02 95.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.765 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.7 -31.36 70.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.145 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -82.19 -3.49 55.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.373 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.25 16.88 68.12 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -99.37 79.26 2.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.748 0.309 . . . . 0.0 110.195 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.63 -33.61 76.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.656 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.59 74.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.003 0.43 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.13 80.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.1 81.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.54 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.84 -42.02 98.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.627 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -44.0 97.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.55 -39.92 92.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.535 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.533 ' HE1' HG23 ' A' ' 92' ' ' THR . 90.1 mtp -62.1 -42.78 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.606 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.35 -43.98 97.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.438 . . . . 0.0 110.575 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.44 -41.15 98.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.215 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.4 t -61.75 -47.07 86.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.526 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -60.23 -43.31 96.14 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.35 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.21 -43.66 95.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.18 0.514 . . . . 0.0 110.556 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.76 -43.92 94.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.223 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.84 -40.68 95.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.86 -42.94 98.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.284 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.03 -39.77 93.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.164 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.32 -46.12 74.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.476 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -60.87 -39.35 88.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.089999999999999997 110.36 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.5 mt -60.97 -44.08 97.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.357 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.65 -43.12 90.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.962 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.41 HE22 HD23 ' A' ' 74' ' ' LEU . 67.4 tp60 -60.25 -44.35 95.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.237 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.1 m -56.8 -42.84 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.059999999999999998 110.018 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.69 -39.94 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.515 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 4' ' ' LEU . 97.8 mt -63.63 -30.57 71.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.666 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.4 mt -83.72 -31.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.050000000000000003 110.886 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.44 179.885 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 75' ' ' VAL . 66.6 p . . . . . 0 N--CA 1.461 0.114 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.31 -41.4 84.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.563 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' A' ' 8' ' ' VAL . 65.0 t -64.72 -45.55 94.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.86 0.362 . . . . 0.0 110.559 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 HE22 ' A' ' 55' ' ' GLN . 82.4 mt -63.53 -41.98 98.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.213 -0.448 . . . . 0.11 110.956 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 71' ' ' SER . 53.6 t -59.86 -47.29 92.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.795 -0.639 . . . . 0.38 110.153 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -58.34 -46.28 86.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.837 0.351 . . . . 0.0 110.344 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.73 -43.04 94.67 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.415 -0.357 . . . . 0.059999999999999998 110.62 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.93 -41.13 97.6 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0900000000000001 110.181 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 83' ' ' THR . 44.1 tp -56.6 -45.57 81.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.368 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -66.87 -46.26 75.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.303 -0.408 . . . . 0.080000000000000002 110.747 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.36 -45.85 92.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.847 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.65 -43.43 98.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.189 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.8 p -63.59 -45.48 90.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.095 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.85 -49.92 72.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.386 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.14 -48.23 79.21 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.555 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.97 -44.0 97.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.94 0.4 . . . . 0.0 110.089 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.91 -48.78 78.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.797 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -59.06 -45.3 91.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.117 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.597 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 96.2 mt-10 -60.35 -44.72 95.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.076 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.67 -43.1 94.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.163 0.506 . . . . 0.0 109.878 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.543 HD12 ' HB1' ' A' ' 22' ' ' ALA . 78.4 mt -60.33 -42.26 90.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.533 HG23 ' HE1' ' A' ' 41' ' ' MET . 6.3 m -57.62 -46.35 84.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.01 0.433 . . . . 0.0 109.841 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.59 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.2 mt-10 -64.1 -42.78 96.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.574 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.406 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 69.8 mt -59.27 -43.87 92.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.95 -42.51 93.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.554 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -61.78 -38.78 89.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.786 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 97' ' ' LEU . 82.5 mt -62.58 -41.88 99.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.907 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 66.7 m80 -61.06 -38.32 85.77 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -63.32 -39.1 93.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.242 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.54 -40.59 97.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.227 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.355 179.745 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.694 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.6 mt . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 120.619 0.247 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.23 -46.62 79.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 1.9399999999999999 110.349 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.42 -35.88 78.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.19 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.49 HG11 HD11 ' B' ' 58' ' ' LEU . 90.1 t -64.15 -41.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.305 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 4' ' ' LEU . 81.6 t -61.07 -43.85 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.854 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 86.2 mtp -58.91 -41.81 88.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.58 -0.526 . . . . 0.17999999999999999 109.58 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.8 -42.41 97.08 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.01 -43.19 99.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.342 . . . . 0.0 110.342 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.35 -44.58 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.28999999999999998 109.677 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.12 -44.27 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.954 -0.566 . . . . 0.02 109.934 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.4 t-20 -61.11 -46.79 89.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.767 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.8 p -59.8 -43.58 94.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.089 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -41.81 99.33 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -64.22 -43.56 94.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.93 75.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.948 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.597 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 76.4 ttt180 -59.95 -46.81 88.2 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -54.34 -43.76 71.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.66 -42.36 98.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.733 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.551 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -58.95 -50.37 74.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.49 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.5 m-85 -59.84 -41.32 91.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.716 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.2 93.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.725 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.2 86.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.705 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.97 -45.38 94.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.277 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.06 -42.24 76.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.46 -44.03 97.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.879 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.08 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.69 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.67 -31.52 70.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.023 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.95 -3.79 55.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.4 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.28 16.69 68.53 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.01 79.39 2.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.757 0.313 . . . . 0.0 110.331 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.79 -33.6 76.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.644 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.8 74.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.09 79.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.49 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.18 81.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.81 -42.29 98.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.529 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.32 97.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.682 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.7 mtt -65.16 -40.45 94.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.545 ' HE1' HG23 ' B' ' 92' ' ' THR . 90.5 mtp -61.48 -42.94 99.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.635 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.18 -44.0 98.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.48 -41.34 98.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -61.54 -47.31 86.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.455 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.18 -43.27 95.98 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.23 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.15 -43.61 95.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.335 0.588 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.58 95.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.146 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' B' ' 48' ' ' LEU . 90.2 mt -65.1 -40.61 94.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.693 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.95 -42.75 98.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.286 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.35 -39.8 92.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.104 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.461 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.11 -46.37 74.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.467 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.63 -39.68 89.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.089999999999999997 110.25 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.6 mt -60.77 -44.33 96.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.318 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.46 -43.34 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.019 0.438 . . . . 0.0 109.949 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -59.81 -44.66 93.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.245 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.7 m -56.73 -43.04 80.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.059999999999999998 109.988 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.61 -39.87 95.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.86 0.362 . . . . 0.0 110.518 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' B' ' 4' ' ' LEU . 97.3 mt -63.46 -30.6 71.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.677 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.77 -31.69 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.028 -0.533 . . . . 0.040000000000000001 110.813 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.533 179.783 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.413 ' O ' HG23 ' B' ' 75' ' ' VAL . 36.5 p . . . . . 0 N--CA 1.461 0.083 0 CA-C-O 121.049 0.452 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.04 -41.73 92.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.587 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.565 HG13 HG21 ' B' ' 8' ' ' VAL . 64.6 t -63.08 -45.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.607 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.68 -41.28 98.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.145 0.498 . . . . 0.11 110.981 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 71' ' ' SER . 54.8 t -60.36 -47.09 93.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.284 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.46 ' CE1' ' CD2' ' B' ' 80' ' ' HIS . 58.9 t-80 -58.94 -45.98 89.12 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.819 -0.352 . . . . 1.1100000000000001 110.293 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.38 95.12 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.937 0.398 . . . . 0.059999999999999998 110.434 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -62.84 -40.68 98.18 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.09 -0.505 . . . . 1.0900000000000001 110.228 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 83' ' ' THR . 47.0 tp -56.95 -45.28 82.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.407 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.46 ' CD2' ' CE1' ' B' ' 76' ' ' HIS . 71.9 m-70 -67.34 -45.97 74.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.39 -0.368 . . . . 0.080000000000000002 110.671 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.9 mt -61.59 -46.12 91.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.829 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.28 -43.39 98.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.243 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.459 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.1 p -63.62 -45.66 89.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.159 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -62.54 -49.92 73.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -57.08 -48.61 78.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.473 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.42 -44.27 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.161 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.77 -48.6 79.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.885 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -59.04 -45.34 90.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.23 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.594 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.7 mt-10 -60.59 -44.65 96.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.127 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.56 -42.97 95.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.498 . . . . 0.0 110.042 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.551 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.1 mt -60.55 -42.56 91.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.187 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.545 HG23 ' HE1' ' B' ' 41' ' ' MET . 5.8 m -57.4 -45.89 84.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.016 0.436 . . . . 0.0 109.845 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.568 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.5 mt-10 -64.27 -42.99 96.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.526 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.59 HD13 ' OE1' ' A' ' 93' ' ' GLU . 68.8 mt -59.36 -43.64 92.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.2 mt -61.14 -42.1 91.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.542 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.99 -39.2 91.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.47 -41.51 98.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.884 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -61.38 -38.45 87.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.79 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -63.18 -39.34 94.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.032 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.44 -40.62 97.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 179.725 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.704 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.5 mt . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.608 0.242 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.33 -46.59 79.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 1.9399999999999999 110.349 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.39 -36.03 78.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.344 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.491 HG11 HD11 ' C' ' 58' ' ' LEU . 89.8 t -63.75 -42.03 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.704 HG23 ' O ' ' C' ' 4' ' ' LEU . 81.9 t -61.07 -43.66 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.971 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 86.8 mtp -59.34 -41.76 89.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.567 -0.531 . . . . 0.17999999999999999 109.567 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.77 -42.16 97.26 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.1 -43.29 98.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.318 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.27 -44.58 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.29999999999999999 109.706 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.9 -44.47 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.006 -0.543 . . . . 0.02 110.081 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.462 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 52.1 t-20 -60.88 -47.48 86.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.778 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.3 p -59.0 -43.88 91.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.169 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.0 -42.3 99.7 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.86 -43.63 95.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.37 -50.17 74.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.732 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.594 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 76.6 ttt180 -60.19 -46.42 89.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.7 m -54.74 -43.66 72.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.51 -42.56 98.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.721 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.555 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.77 -50.28 74.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.482 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.4 m-85 -60.09 -41.34 92.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.513 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.11 93.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.697 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.73 86.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.595 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.42 -44.97 96.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.67 -41.96 78.19 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.63 -43.93 97.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.157 0.504 . . . . 0.0 109.931 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.06 95.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.806 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.92 -31.41 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.108 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.79 -3.73 54.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.436 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.16 17.21 67.54 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.83 79.11 2.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.774 0.321 . . . . 0.0 110.258 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.49 -33.93 77.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.486 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.81 74.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.617 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.29 80.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.23 81.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.473 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.65 -42.55 99.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.641 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.9 98.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.58 -40.25 92.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.614 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.54 ' HE1' HG23 ' C' ' 92' ' ' THR . 90.3 mtp -61.78 -42.71 99.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.703 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.54 -43.63 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.453 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.79 -41.11 97.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.328 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -61.87 -47.1 86.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.455 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.32 -42.98 96.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.332 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 66.0 ttp -60.5 -43.67 96.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.301 0.572 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.6 96.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.392 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.22 -40.62 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.11 -42.32 98.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.306 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.27 -40.24 93.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.982 0.42 . . . . 0.0 110.031 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.462 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.08 -46.41 74.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.438 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.43 -39.67 88.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.089999999999999997 110.325 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.98 -44.28 97.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.26 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.13 -43.36 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.025 0.441 . . . . 0.0 109.951 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.409 HE22 HD23 ' C' ' 74' ' ' LEU . 67.2 tp60 -59.98 -44.77 94.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.276 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.899 HG21 HG22 ' D' ' 356' ' ' THR . 17.5 m -56.49 -42.94 79.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.059999999999999998 110.141 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.85 -39.75 95.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.509 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.491 HD11 HG11 ' C' ' 7' ' ' VAL . 97.3 mt -63.45 -30.71 71.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.71 -31.65 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.059999999999999998 110.76 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.541 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.418 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.671 0.272 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.562 HG13 HG21 ' C' ' 8' ' ' VAL . 57.0 t -64.19 -45.6 95.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 130.115 3.366 . . . . 0.0 110.608 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.409 HD23 HE22 ' C' ' 55' ' ' GLN . 83.6 mt -65.8 -41.1 92.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.11 110.966 177.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.47 -47.71 91.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.803 -0.635 . . . . 0.40000000000000002 110.235 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.466 ' CE1' ' CD2' ' C' ' 80' ' ' HIS . 58.9 t-80 -58.78 -46.02 88.49 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.901 -0.32 . . . . 1.02 110.34 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.49 94.89 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.843 0.354 . . . . 0.059999999999999998 110.377 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -62.77 -40.51 97.5 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.211 -0.45 . . . . 1.0900000000000001 110.241 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.453 ' O ' HG23 ' C' ' 83' ' ' THR . 45.1 tp -57.04 -45.5 83.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.481 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.466 ' CD2' ' CE1' ' C' ' 76' ' ' HIS . 72.1 m-70 -67.37 -45.7 75.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.334 -0.394 . . . . 0.080000000000000002 110.732 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.8 -46.01 91.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.844 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.34 -43.18 99.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.383 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.453 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -63.9 -45.61 88.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.143 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 77.3 p -62.68 -49.73 73.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.618 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.04 -48.58 78.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.521 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.2 tp -61.68 -44.06 97.66 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.132 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.6 79.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -58.95 -45.52 90.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.2 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.29 -44.8 95.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.104 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.65 -42.86 95.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.191 0.52 . . . . 0.0 110.02 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.555 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.3 mt -60.69 -42.51 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.365 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.54 HG23 ' HE1' ' C' ' 41' ' ' MET . 5.9 m -57.32 -45.81 83.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.041 0.448 . . . . 0.0 109.976 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.44 -42.88 95.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.488 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.568 HD13 ' OE1' ' B' ' 93' ' ' GLU . 70.0 mt -59.26 -43.91 92.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.79 -42.36 92.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.638 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -61.64 -39.39 91.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.737 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.24 -41.76 98.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.864 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -61.13 -38.54 86.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.737 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.4 tm-20 -63.07 -39.28 94.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.149 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.45 -40.67 97.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.199 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.6 -41.98 95.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.335 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' C' ' 99' ' ' GLU . 54.7 mtpt -89.2 141.61 28.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.47 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . 0.436 ' OXT' ' O ' ' C' ' 102' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.585 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.866 0.841 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.76 143.02 36.74 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.33 38.63 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.042 -1.036 . . . . 0.0 109.513 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.14 149.23 28.55 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.28 19.02 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.04 -1.037 . . . . 0.0 108.408 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.71 144.43 19.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.74 136.49 37.2 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.116 0.96 . . . . 0.0 110.18 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.4 mt -84.83 114.28 24.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.86 -4.32 19.36 Favored 'General case' 0 C--N 1.265 -3.078 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.818 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.48 141.84 85.9 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 119.717 -1.864 . . . . 0.0 110.616 178.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.53 -47.7 12.91 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 124.753 3.636 . . . . 0.0 114.124 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -102.1 27.6 6.5 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 116.085 -2.246 . . . . 0.0 108.836 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.91 -124.53 23.73 Favored Glycine 0 N--CA 1.497 2.755 0 C-N-CA 117.605 -2.236 . . . . 0.0 109.627 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 78.08 1.81 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.938 -1.331 . . . . 0.0 109.519 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -84.78 176.58 8.43 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.831 -1.548 . . . . 0.0 112.151 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 7.5 p -22.48 -69.24 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 117.308 2.336 . . . . 0.0 117.308 -176.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.563 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 10.4 ttt-85 -46.37 -65.96 0.6 Allowed Pre-proline 0 N--CA 1.493 1.694 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.498 -177.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.35 -32.13 61.51 Favored 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.464 1.443 . . . . 0.0 111.519 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.51 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.93 -39.03 87.22 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.221 -0.924 . . . . 0.0 109.469 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.88 -39.65 72.72 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -64.04 -39.37 93.94 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.463 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.73 -45.34 93.2 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.561 1.172 . . . . 0.0 108.675 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 319' ' ' ALA . 64.5 t -62.53 -42.28 95.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.255 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.768 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -63.82 -40.33 96.36 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.225 -0.922 . . . . 0.0 109.778 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.75 -39.72 80.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.485 -0.759 . . . . 0.0 109.595 177.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.95 91.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.525 -1.359 . . . . 0.0 109.425 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.44 -16.15 44.1 Favored 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.96 -10.48 86.19 Favored Glycine 0 N--CA 1.478 1.5 0 O-C-N 119.913 -1.742 . . . . 0.0 109.319 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.48 143.29 32.91 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.233 -1.745 . . . . 0.0 110.013 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.2 p -75.56 -30.03 59.56 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.233 -0.917 . . . . 0.0 112.377 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.76 158.52 10.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 119.857 -1.777 . . . . 0.0 112.828 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.28 35.46 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 102.877 -3.009 . . . . 0.0 102.877 171.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.72 136.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.441 0 CA-C-O 122.178 0.99 . . . . 0.0 109.289 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -125.02 143.14 51.06 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-O 123.142 1.449 . . . . 0.0 110.002 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.05 129.89 61.48 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.724 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 173.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.2 m -127.47 119.51 26.27 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.887 -1.133 . . . . 0.0 108.888 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.53 122.62 39.33 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.563 -0.711 . . . . 0.0 109.887 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.93 24.34 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.962 -1.086 . . . . 0.0 112.78 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 10.96 83.59 Favored Glycine 0 N--CA 1.501 3.019 0 O-C-N 119.957 -1.714 . . . . 0.0 112.565 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.27 54.56 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 177.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.71 158.6 32.83 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-O 123.801 1.762 . . . . 0.0 112.432 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.38 31.3 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 112.451 -2.159 . . . . 0.0 108.582 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.62 136.01 48.84 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 173.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.428 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.0 -6.77 47.68 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.732 -1.23 . . . . 0.0 110.703 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.89 31.79 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.669 -1.27 . . . . 0.0 109.358 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.0 t -133.05 104.13 6.38 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 122.15 0.976 . . . . 0.0 110.135 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.17 -37.87 72.77 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.002 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -58.93 -51.32 70.56 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.577 -1.327 . . . . 0.0 113.042 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.44 70.52 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 119.516 -1.99 . . . . 0.0 109.218 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.78 -33.78 75.89 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 118.998 -1.081 . . . . 0.0 109.918 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.541 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.66 -10.44 52.29 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.601 -0.687 . . . . 0.0 109.888 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 42.7 p -89.78 -7.74 53.73 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 118.099 -1.441 . . . . 0.0 110.95 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.29 159.25 15.35 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.195 -0.941 . . . . 0.0 110.212 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.86 2.96 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.59 47.41 1.72 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.631 -1.511 . . . . 0.0 107.43 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.899 HG22 HG21 ' C' ' 56' ' ' THR . 4.2 p -81.38 172.5 13.48 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.822 -1.151 . . . . 0.0 109.251 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.7 140.91 57.33 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.922 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.17 78.89 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 119.941 -1.123 . . . . 0.0 111.332 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.51 135.89 34.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.87 -1.37 . . . . 0.0 110.633 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.48 123.73 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.486 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.14 160.1 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.39 -1.724 . . . . 0.0 110.687 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.95 128.32 54.83 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.512 -1.367 . . . . 0.0 107.591 175.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.7 mt -107.81 121.38 60.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 176.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.31 50.7 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.47 -1.292 . . . . 0.0 109.714 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.81 6.42 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 118.513 -1.275 . . . . 0.0 108.041 178.115 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.29 40.16 Favored Glycine 0 C--N 1.296 -1.694 0 C-N-CA 118.024 -2.036 . . . . 0.0 110.411 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.38 -40.64 82.85 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 114.439 -0.881 . . . . 0.0 112.205 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.05 36.82 3.53 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 115.875 -2.33 . . . . 0.0 108.53 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.35 -33.61 65.82 Favored 'General case' 0 N--CA 1.52 3.074 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.437 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.68 27.55 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.633 -1.917 . . . . 0.0 111.0 -176.602 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.823 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.76 97.95 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.5 77.65 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 117.415 -1.714 . . . . 0.0 110.079 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.75 -42.3 89.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 122.24 1.019 . . . . 0.0 109.317 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.85 -47.86 76.54 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-O 122.048 0.928 . . . . 0.0 108.814 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.823 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.81 -38.36 76.56 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.699 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.53 -28.67 59.17 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.352 -1.468 . . . . 0.0 110.885 -174.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.83 -49.23 63.32 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.36 -45.2 84.63 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.513 177.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.486 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.32 85.27 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.96 -1.088 . . . . 0.0 111.518 -177.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.88 61.67 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.144 -0.972 . . . . 0.0 110.279 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.84 -32.38 46.1 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 111.325 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.03 125.52 12.31 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 124.251 1.977 . . . . 0.0 112.922 178.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.818 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.6 mm-40 . . . . . 0 C--N 1.277 -2.557 0 CA-C-N 111.096 -2.775 . . . . 0.0 110.082 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.0 mt . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.26 -45.94 82.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.941 0.4 . . . . 1.9399999999999999 110.257 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -68.76 -36.78 78.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.547 HG11 HD11 ' A' ' 58' ' ' LEU . 90.3 t -63.64 -42.86 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.38 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 4' ' ' LEU . 91.1 t -60.84 -43.82 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.924 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.54 ' CE ' HD22 ' D' ' 347' ' ' LEU . 89.5 mtp -59.47 -42.18 91.44 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.523 -0.547 . . . . 0.17999999999999999 109.523 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.62 -42.08 98.88 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.276 -1.129 . . . . 0.0 110.276 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.431 HD13 ' OE1' ' A' ' 55' ' ' GLN . 37.2 mt -62.88 -42.54 99.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.824 0.345 . . . . 0.0 110.23 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.4 -43.89 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.944 -0.571 . . . . 0.20000000000000001 109.759 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.553 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.0 mt -63.68 -44.6 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 0.01 109.973 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.05 -45.78 92.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.747 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.0 t -61.52 -44.2 97.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.969 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.69 -44.32 96.54 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.487 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.0 mm-40 -62.9 -45.55 92.0 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.29 82.16 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.578 ' NH2' ' OG1' ' A' ' 83' ' ' THR . 43.4 ttm180 -60.14 -47.21 86.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.0 p -56.43 -42.98 78.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.72 -41.95 99.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.718 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.584 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -57.05 -48.75 77.79 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -60.78 -40.44 92.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.581 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.12 94.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.786 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.76 91.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.702 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.86 -45.01 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.453 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -55.55 -42.14 74.21 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.41 -41.21 96.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.755 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.56 95.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.695 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.55 -29.09 69.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.168 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -80.81 -4.54 55.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.456 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 15.39 68.1 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -99.59 79.36 2.25 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.771 0.319 . . . . 0.0 110.333 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.72 -34.3 78.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.661 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.37 79.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 110.73 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.87 82.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.72 82.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.594 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.48 -43.43 98.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.74 98.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.33 -42.41 92.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.503 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.53 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.4 mtm -64.1 -40.22 95.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.635 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.08 -46.41 89.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.006 0.431 . . . . 0.0 110.593 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.02 -41.65 97.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.208 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 m -60.88 -45.6 93.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -60.35 -42.38 95.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.292 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.44 -41.55 97.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.227 0.537 . . . . 0.0 110.567 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.67 97.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.185 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.59 -39.54 91.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.62 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 51.3 t-20 -59.81 -42.92 94.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.286 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.82 -39.66 91.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.23 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.01 -45.79 80.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.49 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -61.64 -38.08 86.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.026 -0.534 . . . . 0.089999999999999997 110.361 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.9 mt -60.26 -43.54 96.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.0 -43.1 96.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 110.064 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.431 ' OE1' HD13 ' A' ' 11' ' ' LEU . 46.9 tp60 -60.15 -44.11 95.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.24 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.4 m -57.03 -42.66 80.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.059999999999999998 110.056 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.24 -39.49 86.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.482 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.547 HD22 HD22 ' A' ' 4' ' ' LEU . 95.8 mt -69.4 -39.37 77.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.645 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.55 -39.93 83.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.050000000000000003 110.843 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.503 -179.305 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.484 HD11 HG21 ' C' ' 75' ' ' VAL . 55.6 tp -56.86 -42.29 79.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.668 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.481 ' CG1' HG21 ' A' ' 8' ' ' VAL . 71.6 t -63.35 -45.39 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.856 0.36 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.06 -41.02 97.7 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.014 0.435 . . . . 0.11 110.892 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.46 HG21 HD11 ' B' ' 72' ' ' LEU . 42.6 t -59.97 -47.53 91.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.807 -0.633 . . . . 0.38 110.218 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.78 -46.12 88.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.819 0.342 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.21 99.35 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.814 0.34 . . . . 0.059999999999999998 110.714 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.64 -38.49 90.47 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.112 -0.495 . . . . 1.0900000000000001 110.125 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 83' ' ' THR . 39.0 tp -56.89 -47.13 81.2 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.361 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -68.3 -46.39 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.738 -0.385 . . . . 0.080000000000000002 110.768 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.57 -46.41 90.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.844 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.33 -43.54 98.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.187 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.578 ' OG1' ' NH2' ' A' ' 19' ' ' ARG . 23.7 p -62.11 -45.05 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.15 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -61.8 -49.07 77.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 54.2 ttp -57.42 -47.42 81.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.546 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.16 -44.92 96.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.922 0.392 . . . . 0.0 110.163 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.14 86.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.837 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -57.66 -46.72 83.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.105 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.408 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 98.3 mt-10 -61.57 -43.08 99.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.061 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.46 -42.84 91.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.127 0.489 . . . . 0.0 109.821 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.584 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 74.7 mt -61.04 -42.34 92.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.349 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.5 m -58.47 -45.23 89.03 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.5 mt-10 -64.11 -43.43 95.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.594 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.53 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 76.5 mt -59.13 -43.75 92.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.53 HD12 ' SD ' ' A' ' 41' ' ' MET . 87.0 mt -60.88 -42.95 94.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.514 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -60.7 -40.21 91.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.49 -41.82 99.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.884 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.9 m80 -59.57 -40.19 86.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.98 -40.42 93.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.185 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.59 -34.49 78.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.201 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.373 179.621 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.693 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.0 mt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.593 0.235 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.61 -45.65 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 1.9399999999999999 110.359 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -68.61 -37.0 79.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.24 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.553 HG11 HD11 ' B' ' 58' ' ' LEU . 87.7 t -63.59 -42.85 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.406 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.693 HG23 ' O ' ' B' ' 4' ' ' LEU . 89.5 t -60.78 -43.9 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.89 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.53 -42.04 91.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.586 -0.524 . . . . 0.17999999999999999 109.586 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.06 98.71 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 11' ' ' LEU . 37.7 mt -62.69 -42.66 99.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 110.309 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.37 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.545 . . . . 0.28999999999999998 109.704 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.51 -44.74 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.537 . . . . 0.02 109.912 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.1 -45.73 92.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.834 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -61.55 -43.97 97.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.125 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.09 96.56 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.1 mm-40 -63.13 -45.06 93.74 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.14 82.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.952 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.571 ' NH2' ' OG1' ' B' ' 83' ' ' THR . 43.6 ttm180 -60.25 -46.88 88.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.1 p -57.04 -42.89 81.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.66 -41.96 99.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.755 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -57.29 -48.67 78.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.408 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.7 m-85 -60.79 -40.46 92.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.717 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.05 93.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.753 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.12 91.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.602 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.55 -44.99 96.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.295 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -55.77 -42.14 75.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.21 -41.2 96.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.863 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.84 96.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.733 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.26 -29.2 69.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.026 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -80.95 -4.52 55.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.7 15.6 67.72 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -99.74 79.05 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.812 0.339 . . . . 0.0 110.374 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -64.62 -34.09 77.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.593 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.66 78.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.56 81.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.384 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.98 -47.5 82.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.59 -43.51 98.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 0.0 110.558 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.9 98.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.38 -42.37 92.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.522 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.3 mtm -63.96 -40.69 97.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.505 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.91 -46.34 89.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.51 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -63.83 -41.64 97.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.315 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -61.2 -45.35 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.474 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -60.39 -42.37 95.74 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.233 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 59.7 mtt -61.56 -41.45 97.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.278 0.561 . . . . 0.0 110.691 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.13 97.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.114 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.34 -39.4 92.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.739 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -60.1 -42.97 95.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.342 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.58 -39.85 92.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.175 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.8 -46.1 79.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.498 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -61.34 -38.08 85.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.089999999999999997 110.306 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.9 mt -60.32 -43.47 96.34 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.32 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.92 -43.41 96.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.063 0.459 . . . . 0.0 109.976 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.422 ' OE1' HD13 ' B' ' 11' ' ' LEU . 46.7 tp60 -59.94 -44.18 94.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.225 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 11.7 m -56.9 -43.21 81.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.059999999999999998 109.981 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.9 -39.59 85.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.87 0.367 . . . . 0.0 110.532 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.561 HD22 HD22 ' B' ' 4' ' ' LEU . 96.1 mt -69.42 -39.13 78.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.668 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.0 mt -67.66 -39.75 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.09 -0.505 . . . . 0.040000000000000001 110.742 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.461 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 95.2 p . . . . . 0 CA--C 1.524 -0.037 0 CA-C-O 121.05 0.452 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 75' ' ' VAL . 60.5 tp -59.39 -41.96 90.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.571 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.469 ' CG1' HG21 ' B' ' 8' ' ' VAL . 65.7 t -62.71 -44.7 99.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.585 -178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.38 -41.12 98.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.11 110.959 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.442 HG21 HD11 ' C' ' 72' ' ' LEU . 43.7 t -59.87 -46.52 93.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.768 -0.651 . . . . 0.38 110.285 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -59.57 -46.06 90.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.91 -0.316 . . . . 1.1100000000000001 110.325 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.07 99.77 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.911 0.386 . . . . 0.059999999999999998 110.439 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.42 -38.64 90.46 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.141 -0.481 . . . . 1.0900000000000001 110.259 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 83' ' ' THR . 36.1 tp -56.83 -47.37 80.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.405 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -68.03 -46.35 71.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.080000000000000002 110.733 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.71 -46.35 90.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.772 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.34 -43.56 98.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.186 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.571 ' OG1' ' NH2' ' B' ' 19' ' ' ARG . 22.7 p -62.07 -44.86 95.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.155 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -61.79 -49.1 77.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.574 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 55.0 ttp -57.6 -47.18 82.85 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.453 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.39 -45.06 95.95 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.106 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.22 85.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.871 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.77 -46.56 84.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.322 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.451 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 98.6 mt-10 -61.36 -43.24 99.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.133 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.49 -43.01 91.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.113 0.483 . . . . 0.0 109.968 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.571 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 75.6 mt -60.81 -42.54 92.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.172 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 76.5 m -58.41 -45.27 88.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.084 0.469 . . . . 0.0 109.918 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.54 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.0 mt-10 -64.04 -43.54 95.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.475 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.4 mt -58.96 -43.63 91.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.522 HD12 ' SD ' ' B' ' 41' ' ' MET . 86.0 mt -61.12 -42.61 93.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.516 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -60.98 -40.19 92.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.723 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.66 -42.0 99.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.833 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.8 m80 -59.17 -40.29 85.15 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.05 -40.38 93.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.124 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.53 -34.4 78.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.192 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 53.9 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.317 179.671 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.691 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.8 mt . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.576 0.227 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.34 -45.84 82.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 1.9399999999999999 110.429 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -68.45 -37.02 79.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.375 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.549 HG11 HD11 ' C' ' 58' ' ' LEU . 90.3 t -63.57 -43.03 98.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.379 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.691 HG23 ' O ' ' C' ' 4' ' ' LEU . 88.2 t -60.66 -43.81 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.031 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.52 -42.29 91.91 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.558 -0.534 . . . . 0.17999999999999999 109.558 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.5 -42.31 98.98 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' C' ' 11' ' ' LEU . 38.1 mt -62.49 -42.44 99.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 110.417 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.52 -43.96 98.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.29999999999999999 109.677 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.56 -44.75 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.509 . . . . 0.02 110.083 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.0 -45.68 92.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.783 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -61.49 -44.41 97.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.171 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.61 -44.09 97.0 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . 0.491 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -62.97 -45.47 92.29 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.28 -48.53 81.28 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.571 ' NH2' ' OG1' ' C' ' 83' ' ' THR . 43.7 ttm180 -59.86 -46.98 87.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.3 p -57.1 -42.7 81.28 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.75 -41.89 99.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.708 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -57.24 -48.69 78.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.433 0.635 . . . . 0.0 109.327 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.451 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -60.87 -40.13 91.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.558 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.89 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.715 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.14 91.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.584 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.56 -44.83 96.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.41 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -55.96 -41.59 74.94 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.404 ' NE2' HE22 ' C' ' 31' ' ' GLN . 99.2 mm-40 -61.87 -40.57 95.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.895 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.41 97.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.785 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.95 -28.99 69.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.049 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.404 HE22 ' NE2' ' C' ' 28' ' ' GLN . 52.4 mt-30 -80.6 -4.9 55.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.94 15.38 67.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -99.54 79.11 2.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.776 0.322 . . . . 0.0 110.267 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.61 -33.97 77.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.54 78.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.081 0.467 . . . . 0.0 110.7 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.07 79.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.384 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.47 81.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.452 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.64 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.567 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.31 99.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.04 -42.14 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.524 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.528 ' SD ' HD12 ' C' ' 95' ' ' ILE . 74.4 mtm -64.2 -40.17 95.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.591 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.4 -46.57 88.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.431 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.78 -41.49 97.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.326 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -61.01 -45.57 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.547 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -60.34 -42.54 95.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.349 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.27 -41.63 97.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.34 0.59 . . . . 0.0 110.527 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.81 98.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.278 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.65 -39.66 91.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.665 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -59.98 -42.82 95.03 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.413 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.48 -39.96 92.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.013 0.435 . . . . 0.0 110.057 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.96 80.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.423 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.577 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 62.7 t-80 -61.53 -37.84 85.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.536 . . . . 0.089999999999999997 110.346 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.54 -43.12 97.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.291 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.09 -43.17 95.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.06 0.457 . . . . 0.0 110.023 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.436 ' OE1' HD13 ' C' ' 11' ' ' LEU . 46.6 tp60 -60.41 -44.12 96.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.249 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.827 HG21 HG22 ' D' ' 356' ' ' THR . 10.8 m -57.0 -42.92 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.059999999999999998 110.12 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.78 -39.83 86.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.507 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.564 HD22 HD22 ' C' ' 4' ' ' LEU . 96.3 mt -69.1 -39.42 79.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.35 -39.83 83.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.059999999999999998 110.849 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.533 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.442 HD11 HG21 ' B' ' 75' ' ' VAL . 51.1 tp . . . . . 0 CA--C 1.519 -0.237 0 CA-C-O 120.639 0.257 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 63.6 t -62.88 -45.05 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 130.194 3.397 . . . . 0.0 110.584 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.42 -40.9 96.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.115 0.483 . . . . 0.11 111.051 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.484 HG21 HD11 ' A' ' 72' ' ' LEU . 44.5 t -59.99 -47.54 91.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.732 -0.667 . . . . 0.40000000000000002 110.175 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -59.24 -46.27 88.93 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.871 -0.332 . . . . 1.02 110.307 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.51 98.64 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.935 0.398 . . . . 0.059999999999999998 110.421 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.04 -38.71 89.74 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.269 -0.423 . . . . 1.0900000000000001 110.24 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.548 ' O ' HG23 ' C' ' 83' ' ' THR . 36.2 tp -56.68 -47.39 79.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.429 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.406 ' O ' ' OG1' ' C' ' 83' ' ' THR . 51.5 m80 -68.13 -46.33 71.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.312 -0.404 . . . . 0.080000000000000002 110.748 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.64 -46.43 90.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.16 -43.23 99.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.448 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.571 ' OG1' ' NH2' ' C' ' 19' ' ' ARG . 23.1 p -62.5 -45.02 94.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.173 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -61.64 -49.01 78.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 54.6 ttp -57.39 -47.47 81.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.53 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.23 -45.04 96.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.003 0.43 . . . . 0.0 110.208 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.23 85.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.979 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.9 -46.7 84.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.246 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.0 -43.39 98.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.959 0.409 . . . . 0.0 110.178 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.42 -43.01 91.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.196 0.522 . . . . 0.0 109.957 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.569 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 75.3 mt -60.76 -42.68 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.342 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 77.7 m -58.29 -44.95 88.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.114 0.483 . . . . 0.0 109.975 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.41 -43.33 94.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.54 HD13 ' OE1' ' B' ' 93' ' ' GLU . 75.5 mt -59.14 -43.58 92.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.528 HD12 ' SD ' ' C' ' 41' ' ' MET . 86.3 mt -60.9 -42.82 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.624 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -60.68 -40.18 91.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.743 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.7 -41.97 99.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.871 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.6 m80 -59.4 -40.34 86.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.728 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.89 -40.41 92.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.161 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.44 -34.43 78.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.28 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 mt -81.68 -3.69 54.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.341 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 56.85 22.84 7.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.448 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.519 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.947 0.879 . . . . 0.0 108.891 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.5 t80 -139.82 143.0 36.61 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.4 38.8 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.012 -1.055 . . . . 0.0 109.534 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.22 149.2 28.47 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.23 152.35 18.93 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.04 -1.037 . . . . 0.0 108.389 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.43 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.77 136.62 37.06 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.19 0.995 . . . . 0.0 110.108 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.87 114.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.93 -4.15 19.42 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.819 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.58 141.81 85.63 Favored Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 119.684 -1.885 . . . . 0.0 110.62 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.5 -47.62 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 124.733 3.622 . . . . 0.0 114.145 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.577 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 89.3 m-20 -102.26 27.64 6.55 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 116.062 -2.255 . . . . 0.0 108.734 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 70.11 -115.69 6.27 Favored Glycine 0 N--CA 1.496 2.699 0 C-N-CA 117.617 -2.23 . . . . 0.0 109.569 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.75 HD11 HD23 ' D' ' 384' ' ' LEU . 4.5 tp -138.2 58.63 1.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.937 -1.331 . . . . 0.0 109.517 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -60.09 172.63 0.76 Allowed 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 117.864 -1.535 . . . . 0.0 112.158 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 32.0 p -30.13 -68.34 0.08 Allowed 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -176.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -39.07 -65.38 0.4 Allowed Pre-proline 0 N--CA 1.493 1.687 0 C-N-CA 120.077 -0.649 . . . . 0.0 112.547 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.94 -32.17 55.0 Favored 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 121.643 1.562 . . . . 0.0 111.468 175.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.501 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.83 86.66 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.462 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.553 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.97 -39.71 72.35 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.92 -39.41 94.1 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.443 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.72 -45.28 93.49 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 122.554 1.169 . . . . 0.0 108.677 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 319' ' ' ALA . 62.6 t -62.71 -42.23 95.36 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.684 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -63.84 -40.25 96.15 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.212 -0.93 . . . . 0.0 109.774 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.81 -39.74 79.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.368 -0.832 . . . . 0.0 109.567 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.03 91.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.682 -1.261 . . . . 0.0 109.418 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.24 -16.28 43.53 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.88 -10.63 86.04 Favored Glycine 0 N--CA 1.479 1.542 0 O-C-N 119.92 -1.737 . . . . 0.0 109.307 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.45 143.29 32.91 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.249 -1.736 . . . . 0.0 110.016 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.3 p -75.57 -30.03 59.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.264 -0.897 . . . . 0.0 112.363 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.77 158.56 10.17 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 119.752 -1.843 . . . . 0.0 112.806 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.99 130.21 35.29 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 102.869 -3.012 . . . . 0.0 102.869 171.256 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.68 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.436 0 CA-C-O 122.219 1.009 . . . . 0.0 109.285 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.96 143.15 51.03 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 123.104 1.431 . . . . 0.0 109.994 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.9 t -108.03 129.95 61.35 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.765 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 173.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.47 119.6 26.47 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.893 -1.129 . . . . 0.0 108.946 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.63 122.56 39.11 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.592 -0.693 . . . . 0.0 109.863 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.68 39.04 24.37 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.877 -1.139 . . . . 0.0 112.786 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.65 11.0 83.57 Favored Glycine 0 N--CA 1.503 3.128 0 O-C-N 119.972 -1.705 . . . . 0.0 112.515 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.3 54.54 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.81 158.53 33.16 Favored 'General case' 0 C--N 1.275 -2.64 0 CA-C-O 123.849 1.785 . . . . 0.0 112.403 -175.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.3 31.26 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-N 112.461 -2.154 . . . . 0.0 108.651 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.54 135.98 48.96 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 173.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.96 -6.85 48.05 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.68 -1.263 . . . . 0.0 110.72 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.4 12.93 31.48 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.684 -1.26 . . . . 0.0 109.372 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.5 t -133.07 104.1 6.35 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 122.163 0.982 . . . . 0.0 110.199 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.54 HD22 ' CE ' ' A' ' 9' ' ' MET . 44.8 tp -57.15 -37.98 72.84 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.907 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -58.89 -51.38 70.3 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.635 -1.29 . . . . 0.0 113.033 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.08 -32.41 70.46 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 119.522 -1.986 . . . . 0.0 109.245 -178.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.84 -33.7 75.8 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.937 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.533 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.6 -10.57 53.19 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.645 -0.659 . . . . 0.0 109.94 -177.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.7 p -89.68 -7.71 54.0 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 118.159 -1.417 . . . . 0.0 110.908 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.8 mt -93.44 159.35 15.28 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.209 -0.932 . . . . 0.0 110.08 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.81 2.97 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.1 mt -119.6 47.48 1.7 Allowed 'General case' 0 C--N 1.309 -1.185 0 O-C-N 120.714 -1.462 . . . . 0.0 107.405 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.827 HG22 HG21 ' C' ' 56' ' ' THR . 2.6 p -81.46 172.49 13.46 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.886 -1.126 . . . . 0.0 109.197 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -60.66 140.92 57.29 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.857 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.19 79.06 Favored Glycine 0 N--CA 1.5 2.93 0 C-N-CA 120.015 -1.088 . . . . 0.0 111.387 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.39 135.88 34.1 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 120.891 -1.358 . . . . 0.0 110.663 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.3 t -96.53 123.65 48.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.09 160.08 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 117.402 -1.719 . . . . 0.0 110.66 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 87.1 m -108.84 128.33 54.81 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 120.483 -1.385 . . . . 0.0 107.668 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.2 mt -107.84 121.36 60.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.421 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.64 147.22 50.72 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.67 153.5 47.29 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 118.482 -1.287 . . . . 0.0 109.773 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.29 110.73 6.37 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 118.547 -1.261 . . . . 0.0 108.085 178.175 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.29 -170.26 40.16 Favored Glycine 0 C--N 1.296 -1.69 0 C-N-CA 117.982 -2.056 . . . . 0.0 110.333 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.58 82.96 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-N 114.389 -0.905 . . . . 0.0 112.159 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.99 36.62 3.61 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 115.921 -2.311 . . . . 0.0 108.569 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.49 65.67 Favored 'General case' 0 N--CA 1.521 3.119 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.61 27.32 Favored 'General case' 0 N--CA 1.508 2.47 0 O-C-N 119.544 -1.973 . . . . 0.0 111.022 -176.61 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.83 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.66 97.65 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.25 -49.48 77.66 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 117.518 -1.673 . . . . 0.0 110.014 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.79 -42.28 89.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-O 122.214 1.007 . . . . 0.0 109.279 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.77 -47.97 76.11 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.078 0.942 . . . . 0.0 108.792 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.83 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.75 -38.3 76.76 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.738 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.64 -28.62 58.86 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.428 -1.42 . . . . 0.0 110.875 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.45 -39.46 71.22 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.97 -49.2 63.1 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.21 -45.24 84.01 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 118.974 -1.09 . . . . 0.0 110.523 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.41 -37.31 85.31 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.836 -1.165 . . . . 0.0 111.56 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.81 61.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.026 -1.046 . . . . 0.0 110.295 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.92 -32.21 45.52 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.564 -0.71 . . . . 0.0 111.347 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.75 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.08 125.46 12.25 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 124.313 2.006 . . . . 0.0 112.913 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.819 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.6 mm-40 . . . . . 0 C--N 1.277 -2.578 0 CA-C-N 111.088 -2.778 . . . . 0.0 110.166 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 8' ' ' VAL . 58.1 mt . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -63.37 -48.26 78.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.917 0.389 . . . . 1.9399999999999999 110.28 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.32 -34.63 78.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.259 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.81 -42.44 95.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.357 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 4' ' ' LEU . 93.7 t -61.42 -44.1 97.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.964 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.2 mtp -59.1 -41.85 89.1 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.499 -0.556 . . . . 0.17999999999999999 109.499 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.44 98.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 11' ' ' LEU . 34.8 mt -63.31 -42.4 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.235 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.93 -44.61 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.20000000000000001 109.799 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.31 -43.96 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.513 . . . . 0.01 109.959 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.8 -46.03 92.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.771 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 m -59.64 -43.89 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.902 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.06 -42.36 99.6 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.4 mm-40 -63.04 -44.06 96.94 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.22 -48.57 81.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.545 HH12 ' HB2' ' A' ' 87' ' ' ALA . 63.8 ttm-85 -61.15 -46.61 89.85 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 77.9 p -56.01 -43.64 77.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.25 -41.47 98.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.679 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.627 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -56.86 -47.97 79.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -59.39 -40.6 87.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.575 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.37 87.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.734 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -43.05 90.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.674 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.05 -45.17 94.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.449 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.8 -42.56 71.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.56 -41.8 90.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.771 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.44 94.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.69 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.5 -31.01 70.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.166 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.58 -5.02 59.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.47 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.33 17.53 73.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -97.78 81.12 2.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.761 0.315 . . . . 0.0 110.252 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -64.36 -33.63 76.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.22 80.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.031 0.443 . . . . 0.0 110.748 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.51 81.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.06 81.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.02 -41.75 98.42 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.578 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.68 99.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.747 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.1 mtt -65.7 -41.97 91.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.411 ' SD ' HG23 ' A' ' 92' ' ' THR . 72.1 mtm -63.81 -41.28 97.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.61 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.37 -45.45 93.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.04 0.448 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.04 -41.65 97.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.257 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.0 m -60.38 -46.23 90.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.525 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.89 -42.23 97.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.327 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.03 -42.47 99.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.214 0.53 . . . . 0.0 110.58 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.28 98.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.15 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.0 mt -65.0 -39.67 93.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.655 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -60.49 -42.11 95.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.211 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.58 -40.99 93.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.169 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.57 89.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.511 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -63.54 -37.6 87.92 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.058 -0.519 . . . . 0.089999999999999997 110.405 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.3 mt -60.64 -44.48 96.35 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.33 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.31 -42.59 94.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.069 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.437 HE22 HD23 ' A' ' 74' ' ' LEU . 66.6 tp60 -59.46 -44.21 93.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.279 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 m -56.74 -41.97 78.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.059999999999999998 110.028 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.84 -40.07 91.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.962 0.41 . . . . 0.0 110.582 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.68 -38.38 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.658 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.8 mt -71.08 -38.21 70.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.516 . . . . 0.050000000000000003 110.86 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.435 -179.168 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.0 p . . . . . 0 C--O 1.226 -0.138 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.562 ' HG ' HD21 ' B' ' 72' ' ' LEU . 25.8 mt -57.41 -45.77 84.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.552 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.541 HG13 HG21 ' A' ' 8' ' ' VAL . 74.0 t -64.84 -46.16 92.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.543 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.437 HD23 HE22 ' A' ' 55' ' ' GLN . 83.3 mt -63.24 -41.78 99.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.005 0.431 . . . . 0.11 110.916 -178.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 71' ' ' SER . 55.5 t -59.77 -47.48 91.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.805 -0.634 . . . . 0.38 110.191 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -58.94 -45.8 89.56 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.314 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.3 94.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.502 -0.317 . . . . 0.059999999999999998 110.668 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.31 -40.17 95.42 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.176 -0.465 . . . . 1.0900000000000001 110.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 83' ' ' THR . 45.6 tp -57.0 -46.87 81.99 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.423 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -68.11 -46.4 71.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.334 -0.394 . . . . 0.080000000000000002 110.686 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.94 -46.69 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.741 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.86 -43.11 99.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.216 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.6 p -63.99 -48.62 75.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.094 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.6 m -61.19 -49.36 77.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.471 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.9 ttp -57.5 -48.12 80.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.526 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.03 -45.06 95.24 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.027 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.545 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -58.77 -47.94 82.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.819 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -57.9 -45.26 86.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.163 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.478 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.2 mt-10 -62.0 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.111 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.49 -43.61 93.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 109.844 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.627 HD12 ' HB1' ' A' ' 22' ' ' ALA . 80.4 mt -60.38 -42.3 90.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.323 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.411 HG23 ' SD ' ' A' ' 41' ' ' MET . 74.3 m -57.73 -45.19 86.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.028 0.442 . . . . 0.0 109.897 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.95 -44.22 93.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.608 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.578 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.9 mt -59.22 -44.01 92.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.39 -42.65 94.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.441 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.25 -40.55 94.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.426 HD21 ' NE2' ' B' ' 98' ' ' HIS . 35.5 mt -62.31 -41.83 98.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.864 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 66.6 m80 -60.22 -40.56 90.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.85 -38.78 92.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.177 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -63.51 -40.79 97.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.147 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.428 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.583 ' O ' HG23 ' B' ' 8' ' ' VAL . 58.0 mt . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.35 -48.25 78.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.879 0.371 . . . . 1.9399999999999999 110.319 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -66.22 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.165 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.98 -42.54 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.357 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 4' ' ' LEU . 92.9 t -61.37 -43.97 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.901 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -59.11 -41.93 89.34 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.589 -0.522 . . . . 0.17999999999999999 109.589 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.16 -42.1 98.13 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 11' ' ' LEU . 36.3 mt -62.76 -42.69 99.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.769 0.319 . . . . 0.0 110.339 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.96 -44.13 99.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.28999999999999998 109.723 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.53 -44.05 98.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.891 -0.595 . . . . 0.02 109.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.89 -45.99 92.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.83 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.4 m -59.71 -43.91 93.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.059 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.93 -42.3 99.7 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.4 mm-40 -62.89 -44.03 97.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.449 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -59.36 -48.64 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.878 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.536 HH12 ' HB2' ' B' ' 87' ' ' ALA . 63.8 ttm-85 -61.04 -46.43 90.77 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.0 p -56.34 -43.34 78.98 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.46 -41.62 98.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.723 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.633 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -56.75 -48.04 78.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.478 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.1 m-85 -59.29 -40.49 86.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.697 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.42 88.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.673 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -43.16 90.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.665 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.89 -45.39 93.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.385 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.63 -42.73 71.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.7 -41.71 91.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.907 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -43.23 93.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.678 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.74 -31.15 70.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.989 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.39 -5.11 59.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.351 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.23 17.32 74.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -97.46 81.18 2.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.776 0.322 . . . . 0.0 110.327 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.4 -33.78 76.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.555 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.39 80.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.012 0.434 . . . . 0.0 110.753 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.79 82.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.456 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.25 81.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.544 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.13 -41.72 98.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.586 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.41 99.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.628 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 63.1 mtt -65.88 -42.3 90.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.539 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.404 ' SD ' HG23 ' B' ' 92' ' ' THR . 72.7 mtm -63.52 -41.18 98.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -62.44 -45.45 93.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.51 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.16 -41.45 97.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.373 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.8 m -60.49 -46.16 91.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.485 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -61.12 -42.05 97.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.365 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.08 -42.25 99.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.225 0.536 . . . . 0.0 110.615 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.83 98.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.131 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' B' ' 18' ' ' ALA . 94.0 mt -65.36 -39.7 92.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.712 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -60.49 -41.97 95.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.329 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.75 -40.94 92.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.16 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.82 -43.11 89.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.498 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -63.03 -38.02 89.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.089999999999999997 110.289 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.1 mt -60.17 -44.59 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.342 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.21 -42.71 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 110.023 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.441 ' NE2' HD23 ' B' ' 74' ' ' LEU . 66.4 tp60 -59.42 -44.39 92.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.1 m -56.5 -42.27 78.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.059999999999999998 109.978 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.57 -40.12 90.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.948 0.404 . . . . 0.0 110.548 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.54 -38.56 87.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.751 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 86.4 mt -70.93 -38.24 71.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.035 -0.529 . . . . 0.040000000000000001 110.782 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.601 -179.245 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.541 ' O ' HG23 ' B' ' 75' ' ' VAL . 15.8 p . . . . . 0 N--CA 1.461 0.089 0 CA-C-O 121.027 0.442 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.567 ' HG ' HD21 ' C' ' 72' ' ' LEU . 23.8 mt -59.16 -45.59 90.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.578 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.53 HG13 HG21 ' B' ' 8' ' ' VAL . 70.8 t -64.1 -45.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.574 -178.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.441 HD23 ' NE2' ' B' ' 55' ' ' GLN . 83.7 mt -63.31 -41.53 98.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.042 0.449 . . . . 0.11 110.979 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 71' ' ' SER . 53.9 t -60.01 -47.1 93.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.757 -0.656 . . . . 0.38 110.296 -179.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.445 ' CE1' ' CE1' ' B' ' 80' ' ' HIS . 53.9 t-80 -59.11 -46.24 88.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.848 -0.341 . . . . 1.1100000000000001 110.245 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.25 95.4 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.839 0.352 . . . . 0.059999999999999998 110.441 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -62.26 -39.81 94.13 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.088 -0.506 . . . . 1.0900000000000001 110.298 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.549 ' O ' HG23 ' B' ' 83' ' ' THR . 46.7 tp -57.6 -46.89 83.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.347 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.445 ' CE1' ' CE1' ' B' ' 76' ' ' HIS . 44.1 m80 -68.01 -46.43 71.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.376 -0.375 . . . . 0.080000000000000002 110.782 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.82 -47.02 88.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.63 -43.02 99.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.189 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.1 p -63.91 -49.09 74.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.131 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -60.54 -49.66 76.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.663 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.53 -47.85 80.88 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.49 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.16 -45.24 94.3 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . 0.536 ' HB2' HH12 ' B' ' 19' ' ' ARG . . . -58.62 -47.85 82.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.892 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -57.97 -45.08 87.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.484 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -62.14 -43.04 99.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.165 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.69 -43.55 93.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.115 0.483 . . . . 0.0 110.022 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.633 HD12 ' HB1' ' B' ' 22' ' ' ALA . 80.8 mt -60.42 -42.27 90.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.253 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.404 HG23 ' SD ' ' B' ' 41' ' ' MET . 69.5 m -57.64 -45.37 85.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.046 0.45 . . . . 0.0 109.827 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.08 -44.18 93.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.579 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.6 mt -59.09 -44.02 91.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.48 -42.75 95.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.476 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.74 -40.97 94.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 97' ' ' LEU . 34.7 mt -62.25 -41.75 98.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.803 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.579 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 66.9 m80 -60.16 -40.58 90.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.753 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.69 -39.01 93.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.099 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.83 -40.58 96.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.206 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.448 179.587 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.608 ' O ' HG23 ' C' ' 8' ' ' VAL . 57.6 mt . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.627 0.251 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -63.57 -48.1 78.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 1.9399999999999999 110.398 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.27 -34.55 78.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.313 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 96.5 t -63.87 -42.58 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.405 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.608 HG23 ' O ' ' C' ' 4' ' ' LEU . 96.9 t -61.44 -44.15 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.964 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.1 mtp -59.04 -41.49 87.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.58 -0.526 . . . . 0.17999999999999999 109.58 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.65 -41.94 97.52 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 11' ' ' LEU . 37.0 mt -62.9 -42.51 99.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.32 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.81 -44.53 99.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.013 -0.539 . . . . 0.29999999999999999 109.733 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.16 -44.45 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 0.02 110.015 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.48 -45.85 92.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.765 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 37.2 m -59.79 -44.02 94.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.42 99.68 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . 0.497 ' O ' ' OG ' ' C' ' 20' ' ' SER . 92.2 mm-40 -62.91 -44.11 96.97 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.97 -49.26 78.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.523 HH12 ' HB2' ' C' ' 87' ' ' ALA . 64.0 ttm-85 -60.93 -46.4 90.83 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.8 p -56.01 -43.94 78.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.87 -41.76 98.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.711 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.641 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -56.51 -48.17 77.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.484 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.3 m-85 -59.43 -40.36 86.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.508 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.36 88.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.72 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.97 91.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.562 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.82 -45.47 93.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.466 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.88 -42.22 71.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.49 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.16 -41.19 92.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.901 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.22 95.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.786 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.86 -31.07 70.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.099 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.25 -5.15 59.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.451 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.35 17.57 73.51 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.76 81.38 2.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.717 0.294 . . . . 0.0 110.258 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.68 -33.77 76.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.547 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.47 79.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.01 0.434 . . . . 0.0 110.654 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.64 81.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.16 81.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.502 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.03 -41.84 98.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.691 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.72 99.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mtt -65.75 -42.09 91.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.403 ' SD ' HG23 ' C' ' 92' ' ' THR . 74.0 mtm -63.83 -41.04 97.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.586 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.4 -45.71 91.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.482 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -64.1 -41.41 97.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.326 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.54 -45.93 92.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.538 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -61.1 -41.91 97.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.325 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.41 -42.4 99.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.263 0.554 . . . . 0.0 110.493 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.05 98.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.3 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' C' ' 18' ' ' ALA . 95.0 mt -65.11 -40.13 94.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.706 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -60.53 -41.99 95.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.334 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.65 -40.84 92.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.026 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.93 -43.23 88.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.388 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.649 ' CD2' ' ND2' ' D' ' 312' ' ' ASN . 63.0 t-80 -62.78 -38.0 88.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.052 -0.522 . . . . 0.089999999999999997 110.347 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.29 -44.6 95.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.307 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 68.5 t -65.03 -42.88 95.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.993 0.425 . . . . 0.0 109.948 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.454 HE22 HD23 ' C' ' 74' ' ' LEU . 66.3 tp60 -59.31 -44.55 92.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.241 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.958 HG21 HG22 ' D' ' 356' ' ' THR . 15.3 m -56.4 -42.22 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.363 . . . . 0.059999999999999998 110.122 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.66 -40.19 91.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.47 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.3 -38.51 87.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.14 -37.8 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.059999999999999998 110.832 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.536 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.445 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.567 HD21 ' HG ' ' B' ' 72' ' ' LEU . 15.8 mt . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 120.627 0.251 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.539 HG13 HG21 ' C' ' 8' ' ' VAL . 64.4 t -65.7 -46.13 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 130.09 3.356 . . . . 0.0 110.683 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.454 HD23 HE22 ' C' ' 55' ' ' GLN . 83.7 mt -65.34 -41.11 94.26 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.191 -0.459 . . . . 0.11 110.975 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.38 -47.55 92.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.821 -0.627 . . . . 0.40000000000000002 110.2 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.451 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 54.0 t-80 -59.2 -46.08 89.37 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.911 -0.315 . . . . 1.02 110.294 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.96 95.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.864 0.364 . . . . 0.059999999999999998 110.436 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.65 -39.8 95.04 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0900000000000001 110.22 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.538 ' O ' HG23 ' C' ' 83' ' ' THR . 46.0 tp -57.39 -46.91 82.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.515 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.451 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 44.9 m80 -68.2 -46.28 71.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.382 -0.372 . . . . 0.080000000000000002 110.73 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.9 -46.88 88.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.821 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.71 -42.74 99.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.538 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.3 p -64.35 -48.67 74.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.188 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 73.6 m -61.06 -49.3 77.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.57 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -57.58 -48.19 80.06 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.534 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.86 -45.07 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.154 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . 0.523 ' HB2' HH12 ' C' ' 19' ' ' ARG . . . -58.87 -47.63 84.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -58.17 -45.11 88.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.246 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.84 -43.38 98.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 110.225 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.5 -43.5 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.227 0.537 . . . . 0.0 110.059 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.641 HD12 ' HB1' ' C' ' 22' ' ' ALA . 80.0 mt -60.41 -42.2 90.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.362 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.403 HG23 ' SD ' ' C' ' 41' ' ' MET . 74.0 m -57.8 -45.24 86.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.034 0.445 . . . . 0.0 109.917 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.07 -43.94 93.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.565 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.587 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 80.6 mt -59.31 -44.03 92.6 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.33 -42.94 95.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.639 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.7 -40.67 93.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.759 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 97' ' ' LEU . 35.5 mt -62.29 -41.69 98.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.862 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.2 m80 -60.44 -40.39 90.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.711 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.93 -38.65 91.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.133 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -63.73 -40.93 97.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.321 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.07 -42.47 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.379 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -84.24 132.69 34.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.435 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.505 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.867 0.842 . . . . 0.0 108.941 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.0 t80 -139.8 143.0 36.66 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.37 38.65 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.935 -1.103 . . . . 0.0 109.555 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.21 149.18 28.46 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.3 19.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.056 -1.027 . . . . 0.0 108.391 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.69 136.62 36.97 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 122.129 0.966 . . . . 0.0 110.14 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.98 114.3 24.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 177.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.83 -4.38 19.33 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.52 141.76 85.71 Favored Pre-proline 0 N--CA 1.5 2.04 0 O-C-N 119.769 -1.832 . . . . 0.0 110.647 178.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.41 -47.71 12.65 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 124.785 3.657 . . . . 0.0 114.139 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.649 ' ND2' ' CD2' ' C' ' 52' ' ' HIS . 10.3 m120 -102.12 27.57 6.53 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 116.082 -2.247 . . . . 0.0 108.796 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.04 -126.83 29.46 Favored Glycine 0 N--CA 1.497 2.719 0 C-N-CA 117.669 -2.205 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 7.6 tp -126.84 78.8 1.83 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.976 -1.308 . . . . 0.0 109.528 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.81 173.25 10.16 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 117.855 -1.538 . . . . 0.0 112.152 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.8 p -23.34 -67.71 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -176.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' D' ' 316' ' ' THR . 34.3 ttt-85 -45.95 -65.54 0.65 Allowed Pre-proline 0 N--CA 1.492 1.658 0 C-N-CA 120.14 -0.624 . . . . 0.0 112.507 -177.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.64 -32.28 58.13 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 C-N-CA 121.858 1.705 . . . . 0.0 111.509 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.479 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.75 86.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 0.0 109.526 -179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.04 -39.72 72.13 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -63.98 -39.3 93.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.49 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.77 -45.3 93.31 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.56 1.172 . . . . 0.0 108.644 -177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.479 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.0 t -62.65 -42.3 95.5 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.303 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.644 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.89 -40.21 96.0 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.282 -0.886 . . . . 0.0 109.744 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.81 -39.69 79.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.477 -0.764 . . . . 0.0 109.56 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.99 91.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.634 -1.291 . . . . 0.0 109.415 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.27 -16.27 43.72 Favored 'General case' 0 N--CA 1.511 2.614 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.6 86.03 Favored Glycine 0 N--CA 1.479 1.544 0 O-C-N 119.901 -1.75 . . . . 0.0 109.309 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.4 32.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.322 -1.693 . . . . 0.0 110.006 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.6 p -75.64 -30.04 59.35 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.35 -0.844 . . . . 0.0 112.309 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.8 158.53 10.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 119.828 -1.795 . . . . 0.0 112.868 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.23 35.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 102.805 -3.035 . . . . 0.0 102.805 171.289 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.68 136.66 60.16 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 122.209 1.004 . . . . 0.0 109.294 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -125.05 143.17 51.05 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-O 123.132 1.444 . . . . 0.0 109.944 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.2 t -108.09 130.0 61.35 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.69 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 173.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.427 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.5 m -127.53 119.57 26.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.918 -1.114 . . . . 0.0 108.917 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.54 122.6 39.27 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.582 -0.699 . . . . 0.0 109.97 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.71 38.96 24.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.943 -1.098 . . . . 0.0 112.761 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 11.02 83.46 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 120.008 -1.683 . . . . 0.0 112.515 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.85 136.28 54.54 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 69.0 m -124.79 158.49 33.22 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-O 123.794 1.759 . . . . 0.0 112.39 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.6 151.43 31.51 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 112.531 -2.122 . . . . 0.0 108.659 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.66 135.98 48.75 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.74 47.4 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.59 -1.319 . . . . 0.0 110.701 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.88 31.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.67 -1.269 . . . . 0.0 109.378 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.1 m -133.03 104.13 6.38 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 122.103 0.954 . . . . 0.0 110.173 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.22 -37.92 72.97 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.954 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -58.89 -51.32 70.53 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.593 -1.317 . . . . 0.0 113.144 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.52 70.75 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 119.505 -1.997 . . . . 0.0 109.191 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.75 -33.79 75.87 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 119.004 -1.078 . . . . 0.0 109.952 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.536 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.61 -10.44 52.09 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.593 -0.692 . . . . 0.0 109.953 -177.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 38.5 p -89.77 -7.79 53.66 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.951 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 93.8 mt -93.29 159.24 15.35 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.202 -0.936 . . . . 0.0 110.211 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.909 0 N-CA-C 106.951 -2.46 . . . . 0.0 106.951 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 87.6 mt -119.59 47.38 1.72 Allowed 'General case' 0 C--N 1.309 -1.167 0 O-C-N 120.741 -1.447 . . . . 0.0 107.438 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.958 HG22 HG21 ' C' ' 56' ' ' THR . 3.2 p -81.53 172.55 13.34 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.745 -1.182 . . . . 0.0 109.19 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.67 140.89 57.31 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.823 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.16 79.0 Favored Glycine 0 N--CA 1.5 2.951 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.335 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.44 135.85 34.09 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.775 -1.426 . . . . 0.0 110.627 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.53 123.69 48.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.15 160.09 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 C-N-CA 117.433 -1.707 . . . . 0.0 110.61 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.427 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.87 128.36 54.84 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.619 -1.301 . . . . 0.0 107.592 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.85 121.39 60.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 105.442 -2.059 . . . . 0.0 105.442 176.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.57 147.19 50.69 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.4 47.18 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.799 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.76 6.4 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.06 178.183 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.33 40.2 Favored Glycine 0 C--N 1.297 -1.624 0 C-N-CA 118.002 -2.047 . . . . 0.0 110.375 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.57 82.59 Favored 'General case' 0 C--N 1.276 -2.603 0 CA-C-N 114.437 -0.882 . . . . 0.0 112.19 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.03 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 115.912 -2.315 . . . . 0.0 108.587 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.35 -33.53 65.75 Favored 'General case' 0 N--CA 1.521 3.11 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 -174.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.45 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.65 27.42 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 119.575 -1.953 . . . . 0.0 110.982 -176.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.804 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.79 98.02 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 178.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.59 77.29 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.493 -1.683 . . . . 0.0 109.971 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.77 -42.17 88.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 122.198 0.999 . . . . 0.0 109.315 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.93 -47.94 76.63 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 122.047 0.927 . . . . 0.0 108.702 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.804 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 14.0 m-70 -69.79 -38.32 76.64 Favored 'General case' 0 C--N 1.291 -1.966 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.688 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.438 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.53 -28.66 59.16 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.431 -1.418 . . . . 0.0 110.908 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.5 71.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.17 63.35 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.23 84.33 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.534 177.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.35 -37.32 85.2 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.86 -1.15 . . . . 0.0 111.564 -177.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.8 61.62 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.155 -0.966 . . . . 0.0 110.28 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.94 -32.3 45.48 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.453 -0.78 . . . . 0.0 111.31 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.1 125.54 12.48 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.358 2.028 . . . . 0.0 112.896 178.66 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 78.7 mm-40 . . . . . 0 C--N 1.277 -2.545 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.09 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.1 mt . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.76 -47.19 79.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 1.9399999999999999 110.223 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -67.71 -37.01 81.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.276 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.452 HG11 HD11 ' A' ' 58' ' ' LEU . 89.0 t -63.93 -42.39 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.349 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 4' ' ' LEU . 75.1 t -60.47 -44.88 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.926 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.4 mtp -59.3 -41.37 88.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.534 -0.543 . . . . 0.17999999999999999 109.534 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.6 -42.58 97.3 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.23 -43.62 97.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.252 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.09 -44.6 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 0.20000000000000001 109.817 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' HD2' ' D' ' 324' ' ' LYS . 87.5 mt -63.95 -44.44 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 0.01 110.014 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 43.8 t-20 -61.25 -46.79 88.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.768 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.45 -44.18 96.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.977 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.548 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.06 -44.1 97.81 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.445 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.7 mm-40 -62.58 -44.45 96.29 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.13 78.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.83 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -61.21 -46.49 90.24 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.4 p -56.29 -43.56 78.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.9 -41.16 97.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.702 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.601 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.5 -48.21 79.86 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.49 -41.51 90.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.606 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.5 96.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.751 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.01 88.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.719 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.83 -44.87 95.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.395 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.39 -42.16 73.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.02 -41.47 96.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.775 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.08 94.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.753 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.03 -29.56 69.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.186 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -80.79 -4.76 55.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.28 14.06 75.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.88 80.0 2.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.732 0.301 . . . . 0.0 110.287 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -64.53 -34.63 78.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.659 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.2 83.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.078 0.466 . . . . 0.0 110.754 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.51 81.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.348 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.81 -47.35 85.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.545 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -61.47 -42.1 98.26 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.57 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.1 97.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.63 -39.76 91.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.501 ' CE ' HG23 ' A' ' 92' ' ' THR . 34.7 mtp -62.19 -42.56 99.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -62.38 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.499 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.64 -42.21 98.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.259 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -60.16 -46.15 90.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.591 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -60.93 -42.09 97.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.309 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.85 -42.27 98.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.17 0.51 . . . . 0.0 110.526 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.49 98.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.17 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 48' ' ' LEU . 89.2 mt -65.63 -39.35 91.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.658 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.413 HD22 ' HA ' ' A' ' 49' ' ' ASN . 7.6 m120 -60.96 -41.97 97.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.327 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.21 -40.12 93.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.195 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.89 -44.22 81.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.534 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.32 -38.1 88.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.065 -0.516 . . . . 0.089999999999999997 110.372 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.0 -44.01 98.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.39 -43.38 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.062 0.458 . . . . 0.0 110.033 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.588 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -60.07 -43.76 95.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.588 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 19.5 m -56.78 -42.54 79.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.059999999999999998 110.048 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.71 -38.97 89.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.54 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.615 ' HB3' HD21 ' A' ' 74' ' ' LEU . 96.6 mt -62.98 -30.17 71.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.72 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.543 HD11 ' NE2' ' A' ' 55' ' ' GLN . 96.7 mt -82.31 -32.01 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.53 . . . . 0.050000000000000003 110.864 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.875 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 N--CA 1.462 0.15 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.69 -41.9 82.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.694 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.57 ' CG1' HG21 ' A' ' 8' ' ' VAL . 71.2 t -63.01 -44.76 99.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.914 0.388 . . . . 0.0 110.514 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 58' ' ' LEU . 19.4 mt -61.6 -39.7 92.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.057 0.456 . . . . 0.11 110.935 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.45 -46.84 89.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.737 -0.665 . . . . 0.38 110.185 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -58.83 -44.77 90.99 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.319 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.25 98.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.814 0.34 . . . . 0.059999999999999998 110.679 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.477 HE21 HE21 ' A' ' 55' ' ' GLN . 83.7 mt-30 -61.84 -39.18 90.95 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0900000000000001 110.195 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 83' ' ' THR . 31.3 tp -56.52 -46.61 80.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.409 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.45 ' O ' ' OG1' ' A' ' 83' ' ' THR . 72.3 m-70 -66.82 -46.5 74.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.289 -0.414 . . . . 0.080000000000000002 110.732 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.33 -45.48 94.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.721 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.05 -43.38 98.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.17 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.5 p -62.42 -45.07 94.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.085 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -61.95 -49.17 77.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -58.02 -47.64 82.47 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.52 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.45 -44.46 97.08 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.102 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.42 85.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.872 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.401 ' NE ' HD12 ' A' ' 48' ' ' LEU . 72.9 ttp85 -58.64 -45.25 89.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.69 -43.99 97.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.092 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.52 -42.5 95.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 109.849 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.601 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.3 mt -60.83 -42.75 93.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.501 HG23 ' CE ' ' A' ' 41' ' ' MET . 68.4 m -57.35 -46.08 83.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.036 0.446 . . . . 0.0 109.933 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.9 mt-10 -63.06 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.583 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.547 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.9 mt -59.78 -42.95 94.45 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.02 -42.95 95.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.5 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.13 -39.3 92.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.071 0.462 . . . . 0.0 109.787 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.09 -41.72 98.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.843 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.547 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.8 m80 -60.76 -39.15 87.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.9 -39.44 91.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.185 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.44 -39.38 93.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.226 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.365 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.65 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.1 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.604 0.24 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.6 -47.18 79.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.881 0.372 . . . . 1.9399999999999999 110.272 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -67.64 -37.07 81.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.279 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.435 HG11 HD11 ' B' ' 58' ' ' LEU . 88.2 t -63.82 -42.46 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 4' ' ' LEU . 75.6 t -60.58 -44.63 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.868 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mtp -59.39 -41.63 89.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.54 -0.541 . . . . 0.17999999999999999 109.54 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -42.65 97.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.85 -43.69 98.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.853 0.358 . . . . 0.0 110.437 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.29 -44.53 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 0.28999999999999998 109.696 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.89 -44.35 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.02 109.893 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 44.0 t-20 -61.35 -46.59 89.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.932 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -60.79 -43.83 97.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.101 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.73 97.84 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.499 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.8 mm-40 -62.86 -44.63 95.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.38 77.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.976 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.85 -46.58 90.0 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 81.1 p -55.97 -44.09 78.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -61.36 -41.57 97.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.711 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.591 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.46 -48.06 80.18 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.66 -41.51 90.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.637 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.6 96.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.778 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.19 89.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.619 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.44 -45.29 94.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.339 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.3 -41.86 72.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.14 -41.14 96.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.873 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.87 95.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.717 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.28 -29.37 69.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.068 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.95 -4.67 55.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.06 14.17 75.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.84 79.85 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.355 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.84 -34.48 78.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.608 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -47.66 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.006 0.432 . . . . 0.0 110.848 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.62 81.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.395 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.26 86.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.578 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -61.37 -42.56 98.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 0.0 110.55 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.09 97.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.649 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 95.0 mmm -65.56 -40.19 92.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.51 ' CE ' HG23 ' B' ' 92' ' ' THR . 34.2 mtp -61.81 -42.79 99.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.548 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -62.24 -43.62 98.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.464 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.08 -42.46 99.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -60.19 -46.12 90.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.474 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.88 -41.68 96.46 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.369 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.98 -42.6 99.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.32 0.581 . . . . 0.0 110.611 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.28 98.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.171 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 48' ' ' LEU . 88.7 mt -66.1 -39.24 89.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.785 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -60.95 -41.88 97.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.361 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.34 -39.97 93.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.14 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.99 -44.49 80.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.44 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.26 -38.22 88.45 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.089999999999999997 110.222 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.7 mt -60.66 -43.95 97.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.878 0.371 . . . . 0.0 110.381 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.72 -43.24 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.068 0.461 . . . . 0.0 110.02 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.594 ' OE1' ' N ' ' B' ' 56' ' ' THR . 1.0 OUTLIER -60.3 -43.44 96.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.594 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 18.9 m -56.8 -42.93 80.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.059999999999999998 110.007 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.33 -39.0 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.916 0.389 . . . . 0.0 110.595 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.619 ' HB3' HD21 ' B' ' 74' ' ' LEU . 96.5 mt -62.94 -30.27 71.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.705 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.543 HD11 ' NE2' ' B' ' 55' ' ' GLN . 97.0 mt -82.27 -32.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.086 -0.506 . . . . 0.040000000000000001 110.721 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.529 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.46 0.05 0 CA-C-O 121.047 0.451 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.31 -41.68 93.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.545 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.57 ' CG1' HG21 ' B' ' 8' ' ' VAL . 73.3 t -62.04 -44.41 98.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.6 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' B' ' 58' ' ' LEU . 19.5 mt -61.6 -39.27 90.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.167 0.508 . . . . 0.11 111.04 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.8 -46.35 90.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.802 -0.636 . . . . 0.38 110.256 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -59.39 -44.79 92.74 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.836 -0.346 . . . . 1.1100000000000001 110.309 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.22 98.89 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.917 0.389 . . . . 0.059999999999999998 110.417 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.479 HE21 HE21 ' B' ' 55' ' ' GLN . 83.5 mt-30 -62.01 -38.93 90.48 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0900000000000001 110.264 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 83' ' ' THR . 28.7 tp -56.71 -46.42 81.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.44 ' O ' ' OG1' ' B' ' 83' ' ' THR . 71.4 m-70 -66.94 -46.54 74.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.387 -0.37 . . . . 0.080000000000000002 110.725 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -60.83 -43.03 98.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.372 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.7 p -62.88 -45.1 94.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.12 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -61.89 -49.09 77.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.2 ttp -57.84 -47.85 81.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.517 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.28 -44.53 97.08 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.185 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.76 -47.47 84.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.916 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -58.63 -45.65 88.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.279 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.404 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.7 mt-10 -61.25 -44.24 97.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.128 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.15 -42.67 96.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.042 0.448 . . . . 0.0 110.042 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.591 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.1 mt -60.84 -42.7 93.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.196 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.51 HG23 ' CE ' ' B' ' 41' ' ' MET . 72.4 m -57.14 -46.21 82.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.126 0.489 . . . . 0.0 109.855 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.505 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.6 mt-10 -63.1 -43.12 99.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.533 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.3 mt -59.7 -42.92 94.08 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.21 -43.01 95.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.517 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.9 -39.23 91.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.731 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.0 mt -62.26 -41.54 98.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.799 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 68.1 m80 -60.82 -39.0 87.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.778 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.16 -39.83 93.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.101 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.03 -39.3 93.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.23 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.411 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.653 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.0 mt . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.645 0.26 . . . . 0.0 110.477 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.75 -47.2 79.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 1.9399999999999999 110.372 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.45 -37.04 82.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.332 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.435 HG11 HD11 ' C' ' 58' ' ' LEU . 89.2 t -63.86 -42.32 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.385 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.653 HG23 ' O ' ' C' ' 4' ' ' LEU . 74.8 t -60.65 -44.54 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.985 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.9 mtp -59.64 -41.27 90.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.598 -0.519 . . . . 0.17999999999999999 109.598 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.7 -42.55 97.17 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' C' ' 11' ' ' LEU . 84.5 mt -63.22 -43.46 98.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.391 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.26 -44.65 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.29999999999999999 109.679 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.83 -44.29 98.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.02 110.044 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 43.4 t-20 -61.77 -46.2 90.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.837 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.94 -43.65 98.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.185 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.7 -43.41 97.87 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . 0.481 ' O ' ' OG ' ' C' ' 20' ' ' SER . 92.7 mm-40 -63.01 -44.13 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.2 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.19 -46.38 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 79.1 p -56.09 -44.34 78.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.15 -41.41 96.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.719 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.61 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.42 -48.17 79.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.404 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -59.8 -41.48 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.542 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.24 96.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.718 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.39 89.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.537 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.52 -45.13 95.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.416 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.33 -41.98 73.16 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.14 -41.09 96.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.91 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.25 94.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.764 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.15 -29.51 69.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.057 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -80.6 -4.75 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.476 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.98 14.44 75.08 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -97.15 79.98 2.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.718 0.294 . . . . 0.0 110.213 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -64.7 -34.58 78.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.508 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.52 82.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.08 0.467 . . . . 0.0 110.716 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.41 -35.53 81.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.345 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.01 -46.9 87.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.476 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -61.61 -42.61 99.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 110.552 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.23 97.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.59 -40.1 92.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.519 ' CE ' HG23 ' C' ' 92' ' ' THR . 34.7 mtp -61.9 -42.66 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.622 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -62.49 -42.88 99.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.48 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -63.89 -42.32 97.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.282 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.01 -46.15 90.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.562 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.72 -42.19 96.79 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.395 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.7 mtp -61.74 -42.43 98.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.359 0.6 . . . . 0.0 110.53 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.32 98.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.339 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.98 -39.37 90.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' C' ' 49' ' ' ASN . 7.5 m120 -61.08 -41.68 97.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.41 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.49 -40.17 92.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.074 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.446 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.7 -44.5 81.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.364 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -62.1 -38.38 88.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.032 -0.531 . . . . 0.089999999999999997 110.301 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 53' ' ' LEU . 36.5 mt -61.0 -43.59 98.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.249 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.62 -43.29 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.066 0.46 . . . . 0.0 110.013 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' C' ' 56' ' ' THR . 1.0 OUTLIER -60.49 -43.47 96.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.236 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.865 HG21 HG22 ' D' ' 356' ' ' THR . 18.0 m -56.93 -42.59 80.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.406 . . . . 0.059999999999999998 110.173 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.5 -38.84 88.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.909 0.385 . . . . 0.0 110.533 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.643 ' HB3' HD21 ' C' ' 74' ' ' LEU . 96.6 mt -63.02 -30.15 71.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.535 HD11 ' NE2' ' C' ' 55' ' ' GLN . 96.9 mt -82.43 -32.04 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.911 -0.586 . . . . 0.059999999999999998 110.834 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.4 mm-40 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 120.578 0.228 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.505 ' CG1' HG21 ' C' ' 8' ' ' VAL . 79.1 t -62.61 -44.73 99.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 130.075 3.35 . . . . 0.0 110.661 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.643 HD21 ' HB3' ' C' ' 58' ' ' LEU . 21.4 mt -63.43 -39.29 94.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.111 0.481 . . . . 0.11 111.067 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.76 -47.29 89.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.757 -0.656 . . . . 0.40000000000000002 110.213 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -59.1 -44.81 91.97 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.862 -0.335 . . . . 1.02 110.365 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.37 98.66 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.797 0.332 . . . . 0.059999999999999998 110.379 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.48 HE21 HE21 ' C' ' 55' ' ' GLN . 83.6 mt-30 -61.82 -39.16 90.81 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0900000000000001 110.265 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.499 ' O ' HG23 ' C' ' 83' ' ' THR . 29.7 tp -56.62 -46.4 80.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.496 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.44 ' O ' ' OG1' ' C' ' 83' ' ' THR . 72.0 m-70 -67.06 -46.39 74.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.391 -0.368 . . . . 0.080000000000000002 110.732 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.5 -45.34 94.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.825 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.03 -43.02 99.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.382 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.499 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.1 p -62.98 -44.82 94.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.133 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.05 -49.22 76.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.57 -48.0 80.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.546 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.4 -44.51 97.02 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.71 -47.54 84.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.923 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -58.6 -45.45 89.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.21 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.2 -44.43 97.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.96 0.41 . . . . 0.0 110.224 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.12 -42.86 96.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.157 0.503 . . . . 0.0 110.032 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.61 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.9 mt -60.54 -42.95 93.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.519 HG23 ' CE ' ' C' ' 41' ' ' MET . 71.5 m -56.98 -45.77 82.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.05 0.453 . . . . 0.0 109.963 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.63 -42.96 98.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.458 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.545 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.1 mt -59.65 -43.0 94.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.07 -42.91 94.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.546 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -62.23 -39.02 91.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.11 0.481 . . . . 0.0 109.73 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.7 mt -62.24 -41.4 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.934 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.4 m80 -61.16 -38.65 87.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.767 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.9 tt0 -62.4 -39.71 94.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.092 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.21 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.5 -41.88 96.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.377 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.2 mttt -91.8 142.38 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.53 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.876 0.846 . . . . 0.0 108.901 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.5 t80 -139.78 143.03 36.72 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.96 156.28 38.58 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.001 -1.062 . . . . 0.0 109.58 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.1 149.19 28.54 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.39 18.91 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.041 -1.037 . . . . 0.0 108.314 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.89 144.35 19.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.72 136.62 37.0 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 122.199 1.0 . . . . 0.0 110.1 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.93 114.3 24.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.85 -4.28 19.4 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.812 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.85 85.78 Favored Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 119.693 -1.879 . . . . 0.0 110.593 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.5 -47.73 12.82 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 124.737 3.625 . . . . 0.0 114.104 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -102.09 27.56 6.53 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 116.14 -2.224 . . . . 0.0 108.786 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.69 -119.82 11.74 Favored Glycine 0 N--CA 1.497 2.714 0 C-N-CA 117.683 -2.199 . . . . 0.0 109.573 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' D' ' 314' ' ' LEU . 3.1 tp -137.94 79.41 1.74 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.931 -1.334 . . . . 0.0 109.53 -177.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.416 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.4 OUTLIER -86.67 179.27 6.82 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 117.87 -1.532 . . . . 0.0 112.221 -179.089 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.444 ' H ' HG23 ' D' ' 316' ' ' THR . 15.6 p -21.99 -67.31 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 -177.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.548 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.2 ttt-85 -49.45 -65.83 0.74 Allowed Pre-proline 0 N--CA 1.493 1.685 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.544 -176.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.65 -32.25 58.03 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.776 1.651 . . . . 0.0 111.529 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.502 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.84 86.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.176 -0.953 . . . . 0.0 109.514 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.67 72.5 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.97 -39.41 94.06 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 117.982 -1.487 . . . . 0.0 109.451 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.25 93.67 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.614 1.197 . . . . 0.0 108.739 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.502 HG23 ' O ' ' D' ' 319' ' ' ALA . 60.4 t -62.73 -42.2 95.28 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.66 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.402 ' HD2' HD13 ' A' ' 13' ' ' ILE . 68.3 mttt -63.98 -40.24 95.93 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.23 -0.919 . . . . 0.0 109.716 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.528 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.66 80.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.397 -0.814 . . . . 0.0 109.552 177.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.12 -43.96 91.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.528 -1.357 . . . . 0.0 109.439 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.39 -16.18 43.9 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.58 86.11 Favored Glycine 0 N--CA 1.478 1.48 0 O-C-N 119.862 -1.773 . . . . 0.0 109.323 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.42 143.33 32.84 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.224 -1.75 . . . . 0.0 109.997 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.3 p -75.58 -30.08 59.52 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.142 -0.974 . . . . 0.0 112.358 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.73 158.56 10.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 119.832 -1.792 . . . . 0.0 112.799 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.03 130.21 35.28 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 102.846 -3.02 . . . . 0.0 102.846 171.245 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.61 136.6 60.34 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.403 0 CA-C-O 122.152 0.977 . . . . 0.0 109.302 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.4 m -124.97 143.29 50.97 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-O 123.181 1.467 . . . . 0.0 109.971 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.433 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.18 129.94 61.58 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.697 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 173.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.5 m -127.46 119.57 26.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.837 -1.165 . . . . 0.0 108.972 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.62 122.58 39.16 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.569 -0.707 . . . . 0.0 109.848 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.76 38.96 24.43 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.885 -1.134 . . . . 0.0 112.749 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.87 83.69 Favored Glycine 0 N--CA 1.501 3.02 0 O-C-N 119.874 -1.766 . . . . 0.0 112.548 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.74 136.3 54.49 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.77 158.52 33.11 Favored 'General case' 0 C--N 1.274 -2.693 0 CA-C-O 123.798 1.761 . . . . 0.0 112.436 -176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.43 31.46 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.516 -2.129 . . . . 0.0 108.555 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 135.97 48.77 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.547 -2.02 . . . . 0.0 105.547 173.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.433 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.76 47.63 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.699 -1.251 . . . . 0.0 110.718 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.52 13.03 31.37 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.666 -1.272 . . . . 0.0 109.396 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.6 t -133.13 104.21 6.39 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.177 0.989 . . . . 0.0 110.054 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.9 tp -57.28 -37.95 73.17 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.954 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -58.86 -51.36 70.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.588 -1.32 . . . . 0.0 113.08 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.34 70.34 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.606 -1.934 . . . . 0.0 109.236 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.85 -33.71 75.83 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 118.959 -1.097 . . . . 0.0 109.92 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.41 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.64 -10.5 52.78 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.656 -0.653 . . . . 0.0 109.874 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 43.1 p -89.82 -7.66 53.84 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 118.117 -1.433 . . . . 0.0 110.901 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.36 159.33 15.3 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.141 -0.974 . . . . 0.0 110.165 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.83 2.97 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.4 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.63 -1.512 . . . . 0.0 107.379 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.865 HG22 HG21 ' C' ' 56' ' ' THR . 4.3 p -81.44 172.5 13.45 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 118.749 -1.181 . . . . 0.0 109.248 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.67 140.89 57.3 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.884 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.18 78.79 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.372 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.47 135.92 34.05 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.914 -1.345 . . . . 0.0 110.56 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.52 123.75 48.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.0 m -112.25 160.06 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 C-N-CA 117.377 -1.729 . . . . 0.0 110.565 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.87 128.33 54.82 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.493 -1.38 . . . . 0.0 107.593 175.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.86 121.42 60.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.24 50.7 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.34 47.15 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 118.538 -1.265 . . . . 0.0 109.772 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.12 110.8 6.45 Favored 'General case' 0 C--N 1.287 -2.145 0 C-N-CA 118.613 -1.235 . . . . 0.0 108.061 178.203 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.33 40.11 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.02 -2.038 . . . . 0.0 110.404 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.62 82.56 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 114.452 -0.874 . . . . 0.0 112.187 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.07 36.87 3.51 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 118.925 -2.36 . . . . 0.0 108.553 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.46 -33.46 65.94 Favored 'General case' 0 N--CA 1.523 3.199 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 -174.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.454 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.67 27.09 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.607 -1.933 . . . . 0.0 110.982 -176.583 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.837 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.71 97.82 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.55 77.46 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.499 -1.68 . . . . 0.0 110.023 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.79 -42.25 89.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 CA-C-O 122.229 1.014 . . . . 0.0 109.299 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.91 -47.83 76.75 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-O 122.019 0.914 . . . . 0.0 108.752 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.837 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.8 -38.36 76.59 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.673 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.1 mt -75.64 -28.64 58.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.383 -1.448 . . . . 0.0 110.842 -174.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.48 71.3 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.452 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.3 62.85 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.528 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.25 -45.16 84.23 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.519 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.4 -37.39 85.61 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.899 -1.125 . . . . 0.0 111.506 -177.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.8 61.65 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.097 -1.002 . . . . 0.0 110.275 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.84 -32.35 46.06 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.555 -0.715 . . . . 0.0 111.327 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.11 125.52 12.43 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 124.314 2.007 . . . . 0.0 112.856 178.741 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.812 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 75.0 mm-40 . . . . . 0 C--N 1.276 -2.59 0 CA-C-N 111.144 -2.753 . . . . 0.0 110.13 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 8' ' ' VAL . 99.8 mt . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.88 -46.21 82.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.893 0.378 . . . . 1.9399999999999999 110.303 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -68.27 -36.24 79.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.218 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.83 -42.42 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.431 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 4' ' ' LEU . 79.2 t -61.16 -44.12 97.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.939 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -58.87 -42.29 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.427 -0.583 . . . . 0.17999999999999999 109.427 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.57 98.5 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.4 -43.09 98.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.269 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.09 -44.35 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.20000000000000001 109.762 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.7 -43.87 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.964 -0.562 . . . . 0.01 109.99 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.51 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.8 t-20 -60.83 -46.19 91.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.786 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -59.47 -44.38 93.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.967 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -62.68 -41.7 99.79 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.4 mm-40 -63.27 -43.54 97.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.13 -48.76 80.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.923 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -61.33 -46.59 89.63 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.6 p -55.43 -44.24 76.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.28 -41.58 98.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.705 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.13 -48.94 77.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.69 -40.06 86.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.585 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.17 94.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.736 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.44 90.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.669 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.53 -45.35 94.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.483 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.7 -42.13 74.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.9 -42.22 93.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.773 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.8 93.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.71 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.61 -30.02 69.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.178 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -83.01 -5.14 58.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.419 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.24 18.18 67.5 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -99.24 79.6 2.34 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.81 0.338 . . . . 0.0 110.267 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.02 -33.83 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.632 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.49 79.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.079 0.466 . . . . 0.0 110.778 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.59 81.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -48.31 80.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.549 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.89 -42.22 98.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.618 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.743 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.1 mtt -65.41 -42.25 92.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.516 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.85 -41.62 97.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.693 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.23 -46.72 87.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.599 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.07 -41.16 99.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.234 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -60.58 -45.63 93.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -61.0 -42.51 98.6 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.12 -43.93 98.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.164 0.507 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.19 99.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.221 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' A' ' 18' ' ' ALA . 96.5 mt -65.52 -39.82 92.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.94 -41.58 96.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.308 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.74 -40.3 91.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.231 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.51 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.62 -43.76 83.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.474 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -62.51 -38.17 88.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.089999999999999997 110.376 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.5 mt -60.78 -44.64 96.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.21 -43.23 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.026 0.441 . . . . 0.0 109.976 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.476 ' NE2' HD23 ' A' ' 74' ' ' LEU . 64.6 tp60 -59.99 -43.34 95.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.242 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 m -56.84 -42.4 79.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.059999999999999998 110.05 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.26 -40.51 94.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.451 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.532 HD22 HD22 ' A' ' 4' ' ' LEU . 95.6 mt -67.62 -39.21 84.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.751 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.23 -39.52 79.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 0.050000000000000003 110.867 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.503 -179.135 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.4 p . . . . . 0 C--O 1.226 -0.141 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 72' ' ' LEU . 74.9 mt -57.0 -45.35 83.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.61 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.567 HG13 HG21 ' A' ' 8' ' ' VAL . 69.1 t -65.45 -47.14 87.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 110.52 -179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD23 ' NE2' ' A' ' 55' ' ' GLN . 83.9 mt -63.72 -41.64 98.04 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 120.994 0.426 . . . . 0.11 110.95 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 71' ' ' SER . 49.8 t -60.53 -47.77 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.79 -0.641 . . . . 0.38 110.122 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -59.43 -45.67 90.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.759 0.314 . . . . 0.0 110.328 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.3 96.11 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.477 -0.329 . . . . 0.059999999999999998 110.65 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.534 ' NE2' ' NE2' ' B' ' 80' ' ' HIS . 58.6 tt0 -63.23 -40.12 96.54 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0900000000000001 110.139 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 83' ' ' THR . 50.6 tp -57.25 -44.91 84.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.37 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -67.19 -47.34 71.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.295 -0.411 . . . . 0.080000000000000002 110.738 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.31 -45.77 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.752 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.83 -43.93 97.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.163 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.2 p -64.48 -48.54 74.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.099 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.07 -49.09 77.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.43 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.54 -48.31 79.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.691 0.282 . . . . 0.0 110.545 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.65 -44.98 95.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.113 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.64 84.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -58.0 -45.74 86.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.084 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.39 -43.53 98.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.041 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.55 -43.05 95.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.175 0.512 . . . . 0.0 109.832 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.625 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.2 mt -59.9 -42.09 88.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.0 m -57.87 -45.18 86.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.72 -43.97 94.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.566 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 82.6 mt -59.14 -43.68 92.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.41 -42.71 94.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.56 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -61.18 -39.11 88.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.6 -41.62 99.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.948 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.0 m80 -59.76 -40.18 87.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.5 -40.12 95.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.163 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.13 -39.47 94.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.21 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.373 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.646 ' O ' HG23 ' B' ' 8' ' ' VAL . 99.3 mt . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.557 0.217 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.09 -46.07 82.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 1.9399999999999999 110.383 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -68.09 -36.06 79.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.238 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.08 -42.59 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.321 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 4' ' ' LEU . 81.2 t -61.14 -44.1 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.896 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.8 -42.27 88.71 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.482 -0.562 . . . . 0.17999999999999999 109.482 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.42 -41.36 98.08 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.38 -43.13 98.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 110.375 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.459 HG12 ' HD1' ' B' ' 80' ' ' HIS . 97.1 mt -63.15 -44.33 99.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.042 -0.526 . . . . 0.28999999999999998 109.641 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.55 -44.21 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.916 -0.584 . . . . 0.02 109.916 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.523 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.6 t-20 -60.82 -46.06 92.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.96 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -59.11 -44.43 91.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.091 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.66 99.84 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.496 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.3 mm-40 -63.0 -43.66 98.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.432 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -59.02 -48.86 80.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.951 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -61.23 -46.55 89.97 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 79.5 p -55.63 -44.04 76.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.2 -41.74 98.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.733 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.622 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.08 -48.69 77.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.91 -40.1 87.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.663 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.12 93.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.675 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.99 90.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.641 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.84 -45.42 93.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.351 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.87 -41.56 74.57 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.44 -41.89 94.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.901 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.7 94.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.721 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.66 -30.34 69.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.081 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -82.92 -4.82 58.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.449 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.96 18.02 68.55 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -99.04 79.78 2.39 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.804 0.335 . . . . 0.0 110.365 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.32 -33.87 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.598 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.45 79.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.031 0.443 . . . . 0.0 110.781 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.34 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.378 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.17 80.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.579 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.74 -42.42 98.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.572 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.41 98.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.689 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 62.6 mtt -65.39 -42.36 92.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.61 -41.93 98.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -62.19 -46.6 88.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.436 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.05 -41.15 99.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.299 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.2 m -60.66 -45.59 93.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.473 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -61.22 -42.28 98.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.282 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 54.1 ttp -60.98 -44.2 97.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.346 0.593 . . . . 0.0 110.665 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.11 98.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.171 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' B' ' 18' ' ' ALA . 95.8 mt -65.76 -39.51 91.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.726 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.04 -41.83 97.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.386 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.59 -40.59 92.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.103 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.523 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.2 -44.33 84.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.49 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -61.96 -38.15 87.42 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.089999999999999997 110.332 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.94 -44.43 97.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.341 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.52 -43.05 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.987 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.48 ' NE2' HD23 ' B' ' 74' ' ' LEU . 63.9 tp60 -60.06 -43.03 95.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.265 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.4 m -56.97 -42.63 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.059999999999999998 109.994 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.06 -40.47 93.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.942 0.401 . . . . 0.0 110.548 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.532 HD22 HD22 ' B' ' 4' ' ' LEU . 95.3 mt -67.95 -38.71 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.66 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.75 -39.63 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.142 -0.481 . . . . 0.040000000000000001 110.779 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.544 -179.071 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.536 ' O ' HG23 ' B' ' 75' ' ' VAL . 99.2 p . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 121.072 0.463 . . . . 0.0 110.57 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.49 -45.52 91.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.517 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.553 HG13 HG21 ' B' ' 8' ' ' VAL . 69.8 t -64.12 -46.24 94.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.608 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.48 HD23 ' NE2' ' B' ' 55' ' ' GLN . 83.1 mt -64.37 -41.43 96.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.11 110.978 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 71' ' ' SER . 50.8 t -60.58 -47.2 93.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.79 -0.641 . . . . 0.38 110.3 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.598 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 11.8 t-160 -59.25 -46.65 87.94 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.849 -0.341 . . . . 1.1100000000000001 110.297 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.61 97.41 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.913 0.387 . . . . 0.059999999999999998 110.479 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.541 ' NE2' ' NE2' ' C' ' 80' ' ' HIS . 58.5 tt0 -62.66 -41.0 98.83 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.072 -0.513 . . . . 1.0900000000000001 110.239 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 83' ' ' THR . 51.1 tp -56.83 -44.85 82.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.417 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.598 ' CE1' ' NE2' ' B' ' 76' ' ' HIS . 59.7 m170 -67.1 -47.26 71.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.375 -0.375 . . . . 0.080000000000000002 110.751 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.36 -45.91 92.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -62.72 -43.64 98.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.189 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.468 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.7 p -64.81 -48.33 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.151 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.02 -49.16 77.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -57.72 -48.27 80.06 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.376 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.68 -44.97 95.94 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.088 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.71 84.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.885 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.05 -45.56 86.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.272 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.47 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.143 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.85 -42.57 94.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 0.0 109.96 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.622 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.0 mt -60.3 -42.38 90.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.204 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.7 m -57.52 -44.89 85.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.091 0.472 . . . . 0.0 109.915 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.98 -43.81 94.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.474 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 83.1 mt -59.33 -43.62 92.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.45 -42.93 95.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.574 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -60.46 -39.83 89.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.721 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 97' ' ' LEU . 84.4 mt -62.25 -42.3 99.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.842 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.0 m80 -59.06 -40.06 83.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -62.72 -39.99 95.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.048 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.33 -39.24 93.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.384 179.763 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.658 ' O ' HG23 ' C' ' 8' ' ' VAL . 99.5 mt . . . . . 0 CA--C 1.522 -0.133 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.02 -46.14 82.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.347 . . . . 1.9399999999999999 110.373 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -68.31 -36.06 78.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.318 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 70.7 t -63.83 -42.65 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.346 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.658 HG23 ' O ' ' C' ' 4' ' ' LEU . 80.5 t -61.05 -44.24 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.016 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.74 -42.23 88.33 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.17999999999999999 109.587 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.57 98.4 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.3 -43.27 98.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.957 0.408 . . . . 0.0 110.457 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.45 HG12 ' HD1' ' C' ' 80' ' ' HIS . 97.7 mt -62.9 -44.59 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.558 . . . . 0.29999999999999999 109.677 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.25 -43.92 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.02 110.064 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.4 t-20 -61.03 -46.09 92.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.796 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.34 -43.98 92.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.18 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.81 99.62 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . 0.485 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.3 mm-40 -63.11 -43.28 98.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.433 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.39 -49.38 78.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.786 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -60.45 -47.19 87.2 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 80.8 p -54.85 -44.47 73.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.06 -41.86 98.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.701 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.644 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.05 -48.83 77.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -59.64 -40.41 87.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.532 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.98 93.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.699 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.5 90.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.566 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.45 -45.7 93.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.411 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.47 -41.96 73.69 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.14 -41.89 93.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.969 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.5 94.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.788 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.86 -29.88 69.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.13 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -83.25 -4.92 58.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.474 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.25 18.1 67.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -99.37 79.51 2.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.75 0.31 . . . . 0.0 110.284 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.02 -34.17 77.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.558 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.39 80.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 0.0 110.685 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.7 -35.2 80.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.417 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.73 -48.31 79.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.467 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.67 -42.75 99.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.61 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.29 99.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.742 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.5 mtt -65.68 -42.16 91.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.06 -41.27 97.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.668 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.64 -46.98 85.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.428 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.55 -41.68 99.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.303 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.6 m -60.15 -45.76 91.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.469 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -61.03 -42.42 98.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.369 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 54.3 ttp -61.06 -43.93 98.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.88 98.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' C' ' 18' ' ' ALA . 96.9 mt -65.96 -39.56 90.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.729 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.14 -41.91 97.59 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.319 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.58 -40.36 92.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.029 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.496 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.43 -44.02 84.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.447 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.553 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 85.3 t60 -62.31 -38.04 87.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.089999999999999997 110.322 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.11 -44.19 97.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.311 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.56 -42.92 94.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.023 0.44 . . . . 0.0 109.959 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.476 ' NE2' HD23 ' C' ' 74' ' ' LEU . 63.5 tp60 -60.07 -43.68 95.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.257 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.898 HG21 HG22 ' D' ' 356' ' ' THR . 15.5 m -56.56 -42.81 79.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.059999999999999998 110.113 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.99 -40.49 93.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.468 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.518 HD22 HD22 ' C' ' 4' ' ' LEU . 95.3 mt -67.56 -38.94 84.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.8 -39.48 77.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.059999999999999998 110.84 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.596 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 79.3 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' C' ' 72' ' ' LEU . 41.5 mt . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 120.62 0.248 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.574 HG13 HG21 ' C' ' 8' ' ' VAL . 74.5 t -65.47 -46.77 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 130.179 3.392 . . . . 0.0 110.604 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.476 HD23 ' NE2' ' C' ' 55' ' ' GLN . 78.4 mt -66.52 -40.93 89.42 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.207 -0.451 . . . . 0.11 110.924 178.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 51.6 t -61.07 -47.95 91.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.792 -0.64 . . . . 0.40000000000000002 110.147 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.595 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 11.8 t-160 -59.1 -46.48 88.19 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.891 -0.324 . . . . 1.02 110.274 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.25 96.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.908 0.385 . . . . 0.059999999999999998 110.477 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.92 -40.7 98.4 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0900000000000001 110.232 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.479 ' O ' HG23 ' C' ' 83' ' ' THR . 50.1 tp -56.96 -45.02 83.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.444 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.595 ' CE1' ' NE2' ' C' ' 76' ' ' HIS . 58.7 m170 -67.05 -47.08 72.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.323 -0.399 . . . . 0.080000000000000002 110.69 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.67 -45.8 92.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.8 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -62.67 -43.49 98.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.393 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.479 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.5 p -65.01 -48.43 73.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.167 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -61.85 -49.38 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.603 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.46 -48.39 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.484 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.54 -44.96 96.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.2 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.11 -47.95 83.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.97 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -57.69 -45.83 85.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.218 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -61.06 -43.71 98.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.912 0.387 . . . . 0.0 110.153 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.61 -42.89 95.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.084 0.469 . . . . 0.0 109.996 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.644 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.1 mt -59.91 -42.26 88.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.347 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 78.4 m -57.64 -45.08 85.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.107 0.479 . . . . 0.0 110.027 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.8 -43.71 95.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.459 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 82.2 mt -59.52 -43.67 93.37 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.17 -43.03 95.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.551 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -60.52 -39.85 89.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.721 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' C' ' 97' ' ' LEU . 84.2 mt -62.01 -42.23 98.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.91 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 69.9 m80 -59.19 -40.09 84.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.707 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.3 tt0 -62.77 -39.83 95.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.116 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.33 -39.14 93.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.187 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.39 -42.66 96.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' C' ' 99' ' ' GLU . 88.6 tttt -90.58 131.35 36.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.498 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.533 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.531 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.856 0.836 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 143.02 36.72 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.02 156.34 38.61 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.014 -1.054 . . . . 0.0 109.501 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.22 28.51 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.92 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.009 -1.057 . . . . 0.0 108.379 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.3 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.67 136.57 37.0 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 122.183 0.992 . . . . 0.0 110.133 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.96 114.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -107.0 -4.21 19.26 Favored 'General case' 0 C--N 1.265 -3.079 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.82 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.59 141.84 85.63 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 119.739 -1.85 . . . . 0.0 110.59 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -45.54 -47.64 13.02 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 124.771 3.648 . . . . 0.0 114.131 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.553 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 98.3 m-20 -102.11 27.5 6.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 116.066 -2.254 . . . . 0.0 108.702 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.0 -130.17 32.85 Favored Glycine 0 N--CA 1.497 2.731 0 C-N-CA 117.702 -2.19 . . . . 0.0 109.599 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.765 HD11 HD23 ' D' ' 384' ' ' LEU . 3.9 tp -122.87 76.03 1.33 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.954 -1.321 . . . . 0.0 109.495 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -81.87 175.82 10.09 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 117.957 -1.497 . . . . 0.0 112.128 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 47.9 p -24.24 -70.68 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.255 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.439 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 8.1 ttt-85 -44.84 -64.81 0.75 Allowed Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.525 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.69 -32.06 57.99 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.031 1.821 . . . . 0.0 111.466 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.449 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.06 -38.83 86.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.223 -0.923 . . . . 0.0 109.489 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.7 72.28 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.89 -39.43 94.17 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.031 -1.468 . . . . 0.0 109.496 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.7 -45.3 93.4 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.583 1.182 . . . . 0.0 108.681 -177.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.449 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.9 t -62.72 -42.19 95.23 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.267 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.639 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -63.89 -40.32 96.24 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.327 -0.858 . . . . 0.0 109.762 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.528 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.74 -39.76 80.18 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.503 -0.748 . . . . 0.0 109.525 177.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.02 91.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.637 -1.29 . . . . 0.0 109.455 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.32 -16.08 42.27 Favored 'General case' 0 N--CA 1.511 2.587 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.01 -10.51 86.22 Favored Glycine 0 N--CA 1.478 1.439 0 O-C-N 119.896 -1.753 . . . . 0.0 109.351 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.49 143.3 32.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.258 -1.731 . . . . 0.0 110.045 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.57 -30.09 59.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.249 -0.907 . . . . 0.0 112.32 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.55 10.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 119.826 -1.796 . . . . 0.0 112.802 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.36 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 171.248 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.2 mt -126.67 136.61 60.3 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.486 0 CA-C-O 122.211 1.005 . . . . 0.0 109.334 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.96 143.2 51.01 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-O 123.097 1.427 . . . . 0.0 109.912 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' D' ' 344' ' ' ALA . 84.9 t -108.18 129.91 61.64 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.721 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 173.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.4 119.57 26.48 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.791 -1.193 . . . . 0.0 108.956 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.6 39.25 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.58 -0.7 . . . . 0.0 109.917 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.97 24.32 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.877 -1.139 . . . . 0.0 112.767 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.7 10.98 83.54 Favored Glycine 0 N--CA 1.501 2.976 0 O-C-N 119.921 -1.737 . . . . 0.0 112.5 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 177.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.77 158.54 33.06 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-O 123.791 1.758 . . . . 0.0 112.453 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.37 31.41 Favored 'General case' 0 C--N 1.278 -2.534 0 CA-C-N 112.515 -2.13 . . . . 0.0 108.575 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 136.05 48.83 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.06 -6.69 47.27 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.751 -1.218 . . . . 0.0 110.755 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.58 13.09 31.3 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.664 -1.273 . . . . 0.0 109.384 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 69.0 m -133.09 104.23 6.42 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 122.206 1.003 . . . . 0.0 110.12 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.28 -37.96 73.19 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.902 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -58.81 -51.47 69.88 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.554 -1.341 . . . . 0.0 113.062 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.43 70.6 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.597 -1.939 . . . . 0.0 109.206 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.75 -33.77 75.83 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.947 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.596 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.76 -10.34 51.83 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.622 -0.674 . . . . 0.0 109.95 -177.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.2 p -89.81 -7.76 53.63 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 118.129 -1.428 . . . . 0.0 110.884 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.37 159.32 15.31 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.182 -0.949 . . . . 0.0 110.153 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.64 104.84 2.96 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.4 mt -119.56 47.39 1.72 Allowed 'General case' 0 C--N 1.309 -1.166 0 O-C-N 120.64 -1.506 . . . . 0.0 107.417 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.898 HG22 HG21 ' C' ' 56' ' ' THR . 5.0 p -81.46 172.51 13.43 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.211 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.67 140.87 57.31 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.847 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.19 78.78 Favored Glycine 0 N--CA 1.501 2.988 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.328 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.47 135.87 34.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.896 -1.355 . . . . 0.0 110.625 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.7 t -96.47 123.71 48.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.23 160.08 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.388 -1.725 . . . . 0.0 110.606 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.2 m -108.92 128.29 54.8 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.487 -1.383 . . . . 0.0 107.597 175.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.74 121.44 60.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 176.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.29 50.72 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.596 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.44 47.16 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 118.526 -1.27 . . . . 0.0 109.786 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.84 6.45 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 118.529 -1.269 . . . . 0.0 108.049 178.204 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.16 -170.4 40.13 Favored Glycine 0 C--N 1.296 -1.676 0 C-N-CA 118.015 -2.041 . . . . 0.0 110.327 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.34 -40.52 82.39 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-N 114.351 -0.924 . . . . 0.0 112.257 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.08 36.76 3.56 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 115.877 -2.329 . . . . 0.0 108.572 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.56 65.73 Favored 'General case' 0 N--CA 1.522 3.139 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.452 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.96 -45.62 26.92 Favored 'General case' 0 N--CA 1.51 2.54 0 O-C-N 119.566 -1.959 . . . . 0.0 110.923 -176.514 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.797 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.7 97.73 Favored 'General case' 0 C--N 1.283 -2.297 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.44 77.85 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 117.486 -1.686 . . . . 0.0 110.04 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.0 t -66.9 -42.14 88.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-O 122.241 1.019 . . . . 0.0 109.282 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.86 -47.96 76.39 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.112 0.958 . . . . 0.0 108.751 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.797 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.7 -38.37 76.93 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.727 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.44 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.2 mt -75.65 -28.57 58.81 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.345 -1.472 . . . . 0.0 110.9 -174.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.46 70.95 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.26 62.89 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.528 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.3 -45.14 84.47 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.484 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.48 -37.25 85.22 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.866 -1.146 . . . . 0.0 111.53 -177.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.88 61.59 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.056 -1.027 . . . . 0.0 110.242 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.77 -32.28 46.49 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.49 -0.756 . . . . 0.0 111.422 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.765 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.16 125.53 12.53 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.364 2.031 . . . . 0.0 112.846 178.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.82 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.9 mm-40 . . . . . 0 C--N 1.278 -2.54 0 CA-C-N 111.121 -2.763 . . . . 0.0 110.156 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.4 mt . . . . . 0 N--CA 1.456 -0.163 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -63.68 -49.01 74.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.864 0.364 . . . . 1.9399999999999999 110.229 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.0 -37.36 84.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 58' ' ' LEU . 71.9 t -64.29 -42.32 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.349 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 4' ' ' LEU . 54.1 t -60.18 -46.18 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.937 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -59.47 -41.07 88.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.487 -0.56 . . . . 0.17999999999999999 109.487 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.74 -42.57 97.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.69 -43.35 99.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.199 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.93 -44.22 99.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 0.20000000000000001 109.803 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.428 HD13 ' HD2' ' D' ' 324' ' ' LYS . 88.5 mt -64.07 -44.25 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.926 -0.579 . . . . 0.01 109.968 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.511 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 1.9 t30 -61.35 -47.21 86.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.777 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.61 -44.04 93.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.997 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.576 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.44 -42.89 98.91 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.04 -42.44 99.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -49.09 78.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.846 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.43 -46.55 89.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.511 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 65.0 m -54.88 -44.12 73.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.06 -42.53 99.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.703 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.687 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.73 -49.92 75.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -59.47 -42.83 92.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.62 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.15 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.716 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.92 85.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.696 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.31 -44.76 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.429 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -55.89 -41.87 75.13 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.44 -40.88 96.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.827 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.55 95.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.774 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.9 -29.07 69.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.093 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.28 -4.81 54.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.47 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.7 14.04 71.26 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.7 79.85 2.74 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 110.294 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -64.71 -34.94 79.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.703 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.12 80.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.083 0.468 . . . . 0.0 110.735 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.47 80.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.321 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.84 81.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.557 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.24 -42.38 99.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.629 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.43 99.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.793 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -65.34 -40.17 93.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.479 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.402 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 91.2 mmm -64.1 -40.6 96.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.91 -43.82 98.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 110.547 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.44 -41.57 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.202 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -60.58 -45.79 92.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.629 ' NH2' HH12 ' A' ' 88' ' ' ARG . 63.1 ttm-85 -60.03 -42.68 94.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.336 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.5 ttp -60.38 -43.04 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.176 0.513 . . . . 0.0 110.633 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.96 98.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.218 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 48' ' ' LEU . 91.8 mt -65.75 -39.54 91.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.694 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' A' ' 49' ' ' ASN . 7.8 m120 -61.47 -41.88 97.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.288 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.56 -39.93 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.199 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.78 -44.11 78.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.402 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.98 -39.28 89.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.089999999999999997 110.399 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.66 -44.2 96.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.6 t -64.31 -43.41 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.053 0.454 . . . . 0.0 110.082 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -59.7 -43.38 94.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.235 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -55.06 -44.59 74.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.047 0.451 . . . . 0.059999999999999998 110.086 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.95 -41.43 96.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.537 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.503 HD11 HG11 ' A' ' 7' ' ' VAL . 84.6 mt -66.85 -38.7 86.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.659 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.08 -40.43 87.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.52 . . . . 0.050000000000000003 110.847 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.444 -179.33 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 75' ' ' VAL . 68.2 p . . . . . 0 C--O 1.227 -0.103 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' N ' HD11 ' B' ' 72' ' ' LEU . 7.8 tt -57.28 -44.43 83.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.63 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.598 ' CG1' HG21 ' A' ' 8' ' ' VAL . 56.1 t -62.77 -46.94 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.9 0.381 . . . . 0.0 110.577 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 74' ' ' LEU . 93.9 mt -62.13 -38.81 90.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.016 0.436 . . . . 0.11 110.891 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 71' ' ' SER . 53.2 t -58.01 -46.17 87.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.762 -0.654 . . . . 0.38 110.163 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -58.25 -43.98 88.13 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.348 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.6 98.09 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.794 0.331 . . . . 0.059999999999999998 110.657 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.568 ' OE1' ' CD2' ' B' ' 76' ' ' HIS . 56.9 tt0 -60.67 -39.58 88.91 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.195 -0.457 . . . . 1.0900000000000001 110.187 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 83' ' ' THR . 41.9 tp -55.23 -45.8 75.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.462 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.414 ' O ' ' OG1' ' A' ' 83' ' ' THR . 69.7 m-70 -66.46 -46.03 77.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.239 -0.437 . . . . 0.080000000000000002 110.739 179.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.42 -46.14 91.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.815 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.12 -43.83 98.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.212 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 79' ' ' LEU . 23.4 p -61.48 -44.8 96.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.102 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.41 -49.57 74.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.495 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.0 ttp -57.34 -49.0 77.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.521 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.46 -44.94 95.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.146 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.17 85.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.846 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.629 HH12 ' NH2' ' A' ' 45' ' ' ARG . 71.5 ttp85 -58.38 -45.96 87.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.183 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -61.42 -43.92 98.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.08 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.73 -41.95 97.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.12 0.485 . . . . 0.0 109.843 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.687 HD12 ' HB1' ' A' ' 22' ' ' ALA . 72.0 mt -59.21 -41.01 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.251 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.402 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.2 m -56.89 -45.18 82.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.22 -43.85 96.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.568 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 94' ' ' LEU . 86.7 mt -59.46 -42.98 93.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.71 -42.69 95.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.5 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.27 -39.32 92.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 97' ' ' LEU . 84.3 mt -62.86 -41.32 99.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.834 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -59.78 -40.56 88.7 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.98 -39.29 89.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.152 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.31 -35.91 82.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.269 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.449 179.559 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.6 mt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.596 0.236 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -63.88 -49.0 74.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 1.9399999999999999 110.337 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -66.83 -37.46 84.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.215 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.513 HG11 HD11 ' B' ' 58' ' ' LEU . 73.2 t -64.24 -42.57 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 4' ' ' LEU . 53.5 t -59.99 -45.95 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.878 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.79 -40.65 89.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.565 -0.531 . . . . 0.17999999999999999 109.565 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.22 -42.64 96.22 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.54 -43.29 99.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.788 0.327 . . . . 0.0 110.376 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.22 -44.35 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.28999999999999998 109.696 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.77 -44.31 98.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 0.02 109.893 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 1.9 t30 -61.53 -46.72 88.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.858 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.3 t -59.97 -43.99 94.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.082 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.56 -42.51 98.84 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.27 -42.53 99.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.9 79.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.921 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.66 -46.39 90.5 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.4 m -54.86 -43.83 73.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.41 -42.67 98.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.691 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.669 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -59.75 -42.76 93.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.692 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.96 91.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.702 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.67 86.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.589 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.2 -45.13 95.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.328 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -55.86 -41.63 74.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.76 -40.95 96.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.882 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.74 95.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.75 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.75 -29.32 70.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.099 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.28 -4.55 53.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.401 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.64 13.62 72.41 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -97.26 80.01 2.87 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.784 0.326 . . . . 0.0 110.358 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -65.03 -34.88 79.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.645 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.45 79.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.052 0.453 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.14 79.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.415 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.96 80.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.512 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.11 -42.58 99.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.81 0.338 . . . . 0.0 110.587 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.81 99.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.1 -40.71 94.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.493 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.402 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 91.2 mmm -63.41 -40.77 98.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.88 -43.84 98.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.16 -41.75 99.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.306 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -60.56 -45.9 92.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.477 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.617 ' NH2' HH12 ' B' ' 88' ' ' ARG . 63.0 ttm-85 -59.81 -43.01 94.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.282 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 51.8 ttp -60.06 -43.18 95.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.249 0.547 . . . . 0.0 110.669 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.77 98.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.192 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 48' ' ' LEU . 90.9 mt -66.05 -39.79 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.714 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.9 -42.16 97.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.341 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.61 -39.97 94.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.116 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.505 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.49 -44.25 78.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.478 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -61.0 -39.33 89.31 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.089999999999999997 110.268 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 53' ' ' LEU . 44.0 mt -60.56 -44.61 95.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.96 -43.64 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.999 0.428 . . . . 0.0 109.945 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -59.58 -43.3 93.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.264 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -55.29 -44.69 75.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.059999999999999998 109.932 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.78 -41.41 95.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.917 0.389 . . . . 0.0 110.513 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.513 HD11 HG11 ' B' ' 7' ' ' VAL . 84.9 mt -66.97 -38.26 85.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.4 -40.34 86.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.085 -0.507 . . . . 0.040000000000000001 110.692 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.29 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.577 ' O ' HG23 ' B' ' 75' ' ' VAL . 86.5 p . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 121.084 0.468 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.401 HD11 ' N ' ' A' ' 72' ' ' LEU . 7.6 tt -59.74 -43.94 94.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.574 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.585 ' CG1' HG21 ' B' ' 8' ' ' VAL . 53.0 t -62.13 -46.82 95.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.575 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.99 -38.36 88.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.11 110.957 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 71' ' ' SER . 53.8 t -58.19 -46.22 88.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.825 -0.625 . . . . 0.38 110.293 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.568 ' CD2' ' OE1' ' A' ' 78' ' ' GLN . 59.4 t-80 -58.55 -43.67 89.38 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.809 -0.356 . . . . 1.1100000000000001 110.251 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.21 97.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.847 0.356 . . . . 0.059999999999999998 110.404 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.59 ' OE1' ' CD2' ' C' ' 76' ' ' HIS . 57.2 tt0 -61.11 -39.36 89.71 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.0900000000000001 110.229 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 83' ' ' THR . 40.5 tp -55.68 -45.51 77.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.401 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' B' ' 83' ' ' THR . 69.5 m-70 -66.62 -45.66 78.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.366 -0.379 . . . . 0.080000000000000002 110.739 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.69 -46.53 89.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -60.46 -44.1 96.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.245 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.6 p -61.41 -44.68 96.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.49 -49.27 76.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.599 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 64.9 ttp -57.62 -48.77 78.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.429 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.67 -44.65 96.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.058 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.16 -46.49 88.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.879 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.617 HH12 ' NH2' ' B' ' 45' ' ' ARG . 71.8 ttp85 -58.67 -46.25 87.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.279 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -61.21 -43.89 98.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.184 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.82 -41.82 97.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.147 0.499 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.669 HD12 ' HB1' ' B' ' 22' ' ' ALA . 70.2 mt -59.27 -40.92 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.237 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.402 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 17.7 m -56.91 -45.25 82.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.07 0.462 . . . . 0.0 109.889 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.33 -43.78 96.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.471 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.28 -43.37 92.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.41 -42.95 95.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.499 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -61.8 -40.01 93.74 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.3 -41.52 98.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.869 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -59.64 -40.44 87.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.25 -39.22 89.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.123 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.49 -35.54 81.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.189 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.363 179.751 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.652 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.4 mt . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.584 0.231 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -63.81 -49.25 73.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.825 0.345 . . . . 1.9399999999999999 110.36 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -66.6 -37.5 85.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.34 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.484 HG11 HD11 ' C' ' 58' ' ' LEU . 72.3 t -64.13 -42.37 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.406 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.652 HG23 ' O ' ' C' ' 4' ' ' LEU . 54.6 t -60.23 -45.98 95.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.982 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.72 -40.92 89.59 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.59 -0.522 . . . . 0.17999999999999999 109.59 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.71 96.81 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.31 -43.46 98.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 0.0 110.361 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.08 -44.3 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.29999999999999999 109.687 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.79 -44.19 98.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.02 110.013 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.527 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 2.0 t30 -61.51 -46.79 88.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.793 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.9 t -59.91 -44.12 94.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.183 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.55 -42.41 98.89 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -63.26 -42.78 99.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.97 78.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.778 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.69 -46.61 89.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.1 m -54.54 -44.11 72.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.23 -42.73 99.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.705 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.672 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.51 -49.66 76.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.99 -42.86 95.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.551 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.17 91.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.722 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.01 86.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.632 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.91 -45.02 96.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.369 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -55.85 -41.72 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.84 -40.26 94.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.897 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.76 98.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.82 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.65 -29.09 69.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.046 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.23 -4.8 54.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.414 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.79 13.98 71.15 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -97.87 79.94 2.7 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.29 . . . . 0.0 110.286 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -64.99 -34.81 79.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.579 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.38 79.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.022 0.439 . . . . 0.0 110.665 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.73 -35.07 79.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.395 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.11 79.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.491 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.72 -43.02 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.615 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.74 99.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.711 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.8 mmm -64.97 -40.8 95.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.33 -40.97 98.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.74 -44.03 97.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.452 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.98 -41.68 99.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.306 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -60.78 -45.75 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.565 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.615 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.9 ttm-85 -60.02 -42.67 94.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.33 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 52.6 ttp -60.37 -43.08 96.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.349 0.595 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.15 98.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.349 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.69 -39.79 91.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.691 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . 0.421 HD22 ' HA ' ' C' ' 49' ' ' ASN . 7.8 m120 -61.16 -42.11 97.96 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.402 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -64.25 -40.17 95.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.001 0.429 . . . . 0.0 110.038 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.527 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.46 -44.23 79.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.421 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.91 -39.46 89.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.056 -0.52 . . . . 0.089999999999999997 110.328 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.91 -44.13 97.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.317 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.07 -43.49 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.981 0.419 . . . . 0.0 110.017 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -59.75 -43.37 94.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.856 HG21 ' CG2' ' D' ' 356' ' ' THR . 19.0 m -55.07 -44.73 75.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.408 . . . . 0.059999999999999998 110.167 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.86 -41.2 95.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.886 0.374 . . . . 0.0 110.462 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.484 HD11 HG11 ' C' ' 7' ' ' VAL . 84.7 mt -67.02 -38.57 86.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.25 -40.18 86.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.975 -0.557 . . . . 0.059999999999999998 110.829 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.2 mm-40 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 tt . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.624 0.249 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.553 ' CG1' HG21 ' C' ' 8' ' ' VAL . 51.3 t -63.03 -46.65 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 130.1 3.36 . . . . 0.0 110.593 -177.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.59 -37.72 88.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.057 0.456 . . . . 0.11 110.979 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.89 -46.63 91.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.793 -0.639 . . . . 0.40000000000000002 110.169 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.59 ' CD2' ' OE1' ' B' ' 78' ' ' GLN . 59.7 t-80 -58.57 -44.03 89.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.895 -0.322 . . . . 1.02 110.316 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.04 98.38 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.932 0.396 . . . . 0.059999999999999998 110.514 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.13 -39.81 91.43 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.159 -0.473 . . . . 1.0900000000000001 110.236 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.507 ' O ' HG23 ' C' ' 83' ' ' THR . 39.7 tp -55.18 -45.94 75.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.485 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.419 ' O ' ' OG1' ' C' ' 83' ' ' THR . 70.0 m-70 -66.36 -45.81 78.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.364 -0.38 . . . . 0.080000000000000002 110.742 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.41 -46.54 89.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.816 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -60.83 -43.29 98.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.368 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.507 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.6 p -62.13 -44.69 96.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.203 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -62.3 -49.5 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.24 -49.21 76.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.767 0.318 . . . . 0.0 110.514 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.46 -44.35 95.94 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.156 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.44 88.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.945 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.615 HH12 ' NH2' ' C' ' 45' ' ' ARG . 71.7 ttp85 -58.89 -46.12 88.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.189 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.04 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.164 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.57 -41.88 98.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.113 0.482 . . . . 0.0 110.026 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.672 HD12 ' HB1' ' C' ' 22' ' ' ALA . 72.3 mt -59.0 -41.16 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.386 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 17.0 m -56.7 -45.39 81.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.096 0.474 . . . . 0.0 109.955 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.26 -43.7 97.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.533 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.21 -43.03 92.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.79 -42.78 95.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.531 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -61.79 -40.0 93.69 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.33 -41.69 98.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.856 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -59.39 -40.73 87.49 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.05 -39.42 89.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.12 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.17 -35.57 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.256 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt -81.41 -3.28 52.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.32 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 57.13 22.96 8.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.539 179.725 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.542 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.865 0.841 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.79 143.02 36.68 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 178.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.26 38.51 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.956 -1.09 . . . . 0.0 109.545 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.3 mm-40 -152.1 149.24 28.59 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.37 18.93 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.038 -1.039 . . . . 0.0 108.416 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.86 144.27 19.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.66 136.56 37.02 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 122.153 0.978 . . . . 0.0 110.155 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.95 114.29 24.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.91 -4.28 19.33 Favored 'General case' 0 C--N 1.265 -3.1 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.81 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.87 85.89 Favored Pre-proline 0 N--CA 1.499 2.0 0 O-C-N 119.633 -1.917 . . . . 0.0 110.614 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -45.53 -47.73 12.89 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 124.776 3.651 . . . . 0.0 114.085 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -102.1 27.57 6.52 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 116.075 -2.25 . . . . 0.0 108.837 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.85 -126.35 26.62 Favored Glycine 0 N--CA 1.496 2.691 0 C-N-CA 117.653 -2.213 . . . . 0.0 109.597 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.54 77.28 1.78 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.923 -1.339 . . . . 0.0 109.511 -176.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.423 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.3 OUTLIER -85.24 176.97 8.02 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 117.852 -1.539 . . . . 0.0 112.109 -179.195 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.485 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 13.5 p -21.76 -72.05 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.576 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.7 ttt-85 -44.4 -66.3 0.49 Allowed Pre-proline 0 N--CA 1.493 1.714 0 C-N-CA 120.136 -0.626 . . . . 0.0 112.542 -177.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.21 -32.19 62.96 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.55 1.5 . . . . 0.0 111.522 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.511 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.81 86.73 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.201 -0.937 . . . . 0.0 109.543 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.88 -39.75 72.67 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.91 -39.45 94.19 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 118.072 -1.451 . . . . 0.0 109.488 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.66 -45.38 93.09 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 122.607 1.194 . . . . 0.0 108.687 -177.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.606 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.6 t -62.61 -42.22 95.14 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.693 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.428 ' HD2' HD13 ' A' ' 13' ' ' ILE . 35.4 mttm -63.97 -40.19 95.83 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.27 -0.894 . . . . 0.0 109.742 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.529 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.84 -39.62 79.83 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.401 -0.812 . . . . 0.0 109.541 178.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.02 91.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.611 -1.305 . . . . 0.0 109.44 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . 0.606 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.8 mttp -61.33 -16.22 43.77 Favored 'General case' 0 N--CA 1.512 2.637 0 O-C-N 121.321 -0.862 . . . . 0.0 113.278 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.54 86.14 Favored Glycine 0 N--CA 1.479 1.551 0 O-C-N 119.889 -1.757 . . . . 0.0 109.263 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.46 143.34 32.84 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.313 -1.698 . . . . 0.0 110.015 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.59 -30.12 59.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.234 -0.916 . . . . 0.0 112.365 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.67 158.49 10.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.791 -1.818 . . . . 0.0 112.821 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.2 35.35 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 102.888 -3.004 . . . . 0.0 102.888 171.2 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.7 136.64 60.21 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.424 0 CA-C-O 122.25 1.024 . . . . 0.0 109.258 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.98 143.18 51.03 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-O 123.121 1.438 . . . . 0.0 109.987 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.9 t -108.12 130.0 61.39 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 173.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.56 119.58 26.3 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.891 -1.131 . . . . 0.0 108.901 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.58 39.2 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.878 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.8 38.9 24.41 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.914 -1.116 . . . . 0.0 112.784 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 11.09 83.46 Favored Glycine 0 N--CA 1.503 3.11 0 O-C-N 119.968 -1.708 . . . . 0.0 112.526 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.92 136.23 54.59 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.77 158.51 33.15 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 123.786 1.755 . . . . 0.0 112.395 -175.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.36 31.33 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 112.457 -2.156 . . . . 0.0 108.592 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.53 136.01 49.01 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 173.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.436 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.05 -6.77 47.8 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.718 -1.239 . . . . 0.0 110.699 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.5 12.92 31.71 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.669 -1.269 . . . . 0.0 109.353 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 67.1 m -133.05 104.12 6.37 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.151 0.977 . . . . 0.0 110.179 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.29 -37.77 72.95 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.941 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -59.0 -51.34 70.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.583 -1.323 . . . . 0.0 113.03 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.38 70.4 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 119.54 -1.975 . . . . 0.0 109.196 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.82 -33.73 75.84 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.959 -1.096 . . . . 0.0 109.948 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.509 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.65 -10.52 52.99 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.649 -0.657 . . . . 0.0 109.923 -177.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.6 p -89.72 -7.71 53.93 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 118.074 -1.451 . . . . 0.0 110.947 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.42 159.34 15.29 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.268 -0.895 . . . . 0.0 110.159 -178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.9 2.97 Favored Glycine 0 N--CA 1.484 1.861 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . 0.448 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.1 mt -119.57 47.3 1.74 Allowed 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.709 -1.465 . . . . 0.0 107.413 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.856 ' CG2' HG21 ' C' ' 56' ' ' THR . 80.8 p -81.44 172.55 13.39 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 118.776 -1.169 . . . . 0.0 109.223 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.73 140.92 57.37 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.825 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.49 -3.2 78.77 Favored Glycine 0 N--CA 1.5 2.932 0 C-N-CA 120.031 -1.081 . . . . 0.0 111.368 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.44 135.91 34.07 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.849 -1.383 . . . . 0.0 110.625 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.58 123.69 48.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.11 160.05 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 C-N-CA 117.423 -1.711 . . . . 0.0 110.631 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.87 128.41 54.89 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 120.544 -1.348 . . . . 0.0 107.603 175.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.6 mt -107.87 121.41 60.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 176.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.61 147.23 50.71 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.722 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.542 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.81 6.43 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 118.6 -1.24 . . . . 0.0 108.029 178.151 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.3 40.13 Favored Glycine 0 C--N 1.295 -1.714 0 C-N-CA 118.007 -2.044 . . . . 0.0 110.385 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.35 -40.63 82.71 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.43 -0.885 . . . . 0.0 112.199 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.06 36.76 3.56 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 115.878 -2.329 . . . . 0.0 108.574 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.55 65.77 Favored 'General case' 0 N--CA 1.522 3.162 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -174.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.447 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.61 27.53 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 119.577 -1.952 . . . . 0.0 110.972 -176.55 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.821 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.75 97.77 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -58.99 -49.6 77.27 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.47 -1.692 . . . . 0.0 110.09 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.79 -42.22 88.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-O 122.201 1.0 . . . . 0.0 109.297 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.88 -47.88 76.57 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 122.086 0.946 . . . . 0.0 108.71 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.821 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.85 -38.35 76.46 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.684 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.437 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.58 -28.6 59.01 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.414 -1.429 . . . . 0.0 110.866 -174.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -39.57 71.54 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.457 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.86 -49.2 63.42 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.529 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.29 -45.23 84.31 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.976 -1.089 . . . . 0.0 110.538 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.28 85.12 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.862 -1.149 . . . . 0.0 111.535 -177.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.85 61.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.116 -0.99 . . . . 0.0 110.281 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.83 -32.29 46.12 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.583 -0.698 . . . . 0.0 111.364 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.46 12.29 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 124.276 1.989 . . . . 0.0 112.946 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.81 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.4 mt-10 . . . . . 0 C--N 1.276 -2.591 0 CA-C-N 111.172 -2.74 . . . . 0.0 110.121 -177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.6 mt . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -62.9 -50.13 72.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.917 0.389 . . . . 1.9399999999999999 110.365 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.37 -36.39 79.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.243 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.501 HG11 HD11 ' A' ' 58' ' ' LEU . 85.8 t -64.72 -43.31 96.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 4' ' ' LEU . 72.0 t -60.79 -44.56 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.895 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.9 mtp -58.75 -41.24 86.06 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.516 -0.549 . . . . 0.17999999999999999 109.516 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.63 96.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.264 -1.135 . . . . 0.0 110.264 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.432 HD13 ' OE1' ' A' ' 55' ' ' GLN . 84.0 mt -62.97 -43.14 99.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.207 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.12 -44.44 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.004 -0.544 . . . . 0.20000000000000001 109.773 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.488 HD13 ' NZ ' ' D' ' 324' ' ' LYS . 90.0 mt -63.52 -43.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.01 109.983 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.13 -46.8 89.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.784 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -59.9 -44.46 94.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.924 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.52 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -62.14 -42.55 99.73 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -63.28 -42.25 99.07 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.496 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.65 -49.87 75.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.47 -46.3 90.58 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -54.33 -44.18 71.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.84 -42.43 99.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.636 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -59.15 -50.91 72.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.35 -42.95 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.596 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.72 95.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.717 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.39 85.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.633 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.86 -45.39 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.499 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.98 -42.73 76.79 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -60.95 -41.71 96.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.94 95.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.74 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.79 -29.89 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.171 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -82.75 -4.35 57.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.486 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.56 17.47 70.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -98.45 79.62 2.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.783 0.325 . . . . 0.0 110.303 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -64.58 -34.11 77.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.727 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.49 78.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.027 0.441 . . . . 0.0 110.664 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.07 83.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.64 -47.84 81.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.613 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.88 -43.32 99.08 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.666 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.77 98.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.1 mmm -65.98 -40.45 91.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.554 ' HE3' HG23 ' A' ' 92' ' ' THR . 94.0 mtp -62.79 -41.19 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.594 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.29 -43.32 99.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.94 -40.24 97.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.222 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t -61.59 -46.82 88.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.559 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 76.7 ttt180 -59.13 -43.12 91.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.37 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.532 ' SD ' ' C ' ' A' ' 46' ' ' MET . 18.7 tmm? -60.12 -43.96 95.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.174 0.511 . . . . 0.0 110.576 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.54 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.187 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.496 HD21 ' CB ' ' A' ' 18' ' ' ALA . 89.4 mt -65.37 -40.3 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.676 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 52.4 t-20 -60.87 -42.21 97.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.237 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.07 -39.81 93.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.191 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -46.05 74.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.486 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.55 -39.68 88.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.044 -0.525 . . . . 0.089999999999999997 110.412 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.16 -43.76 95.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.326 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.64 -43.51 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.035 0.445 . . . . 0.0 110.083 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.432 ' OE1' HD13 ' A' ' 11' ' ' LEU . 67.1 tp60 -59.52 -44.16 93.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.313 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -57.13 -42.38 80.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.059999999999999998 110.033 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.446 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.501 HD11 HG11 ' A' ' 7' ' ' VAL . 95.9 mt -63.64 -30.79 71.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.66 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -85.71 -32.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.050000000000000003 110.848 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.456 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 75' ' ' VAL . 83.3 p . . . . . 0 C--O 1.226 -0.136 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.11 -42.11 85.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.604 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.596 HG13 HG21 ' A' ' 8' ' ' VAL . 59.3 t -65.9 -46.04 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.956 0.408 . . . . 0.0 110.578 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.46 -42.51 95.91 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.187 -0.46 . . . . 0.11 110.924 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 71' ' ' SER . 54.9 t -59.54 -46.51 92.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.76 -0.654 . . . . 0.38 110.207 -179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -58.33 -45.1 88.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.285 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.48 87.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.512 -0.313 . . . . 0.059999999999999998 110.605 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -62.16 -40.96 97.75 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.207 -0.451 . . . . 1.0900000000000001 110.213 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 83' ' ' THR . 37.5 tp -55.02 -47.06 75.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.421 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -68.6 -45.53 71.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.285 -0.416 . . . . 0.080000000000000002 110.717 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.95 -49.31 76.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.811 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.23 -44.28 96.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.209 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.7 p -61.95 -45.32 94.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.124 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -62.78 -47.49 83.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.458 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.4 tpp -59.05 -48.15 82.63 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.551 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.63 -45.04 95.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.127 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.18 -47.17 81.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.847 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 78.8 ttt-85 -59.36 -44.71 92.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.191 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.62 -46.58 89.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.129 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.09 -42.12 94.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.247 0.546 . . . . 0.0 109.892 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.426 HD13 ' HB1' ' A' ' 22' ' ' ALA . 65.7 mt -60.16 -41.97 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.27 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.554 HG23 ' HE3' ' A' ' 41' ' ' MET . 66.1 m -57.29 -45.91 83.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.469 . . . . 0.0 109.881 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.01 -42.77 99.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.56 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 13.7 mt -60.06 -44.05 94.98 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.4 -43.25 96.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.562 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.494 ' HG2' ' HZ3' ' A' ' 100' ' ' LYS . 83.3 tt0 -59.08 -39.54 82.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.705 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.836 HD21 ' NE2' ' B' ' 98' ' ' HIS . 36.5 mt -61.68 -41.75 97.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.916 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.714 ' NE2' HD21 ' C' ' 97' ' ' LEU . 74.3 m80 -59.01 -39.96 83.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.61 -41.69 97.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.179 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.494 ' HZ3' ' HG2' ' A' ' 96' ' ' GLU . 60.7 mttp -63.19 -37.63 88.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.801 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.742 ' O ' HG23 ' B' ' 8' ' ' VAL . 94.4 mt . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.601 0.239 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.83 -50.11 72.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 1.9399999999999999 110.386 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.25 -36.34 79.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.218 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.5 HG11 HD11 ' B' ' 58' ' ' LEU . 92.3 t -65.13 -43.27 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 4' ' ' LEU . 69.1 t -60.73 -44.4 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.933 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.1 mtp -59.04 -40.82 86.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.611 -0.514 . . . . 0.17999999999999999 109.611 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.44 -42.2 96.0 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.101 -1.199 . . . . 0.0 110.101 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.425 HD13 ' OE1' ' B' ' 55' ' ' GLN . 85.1 mt -63.24 -43.25 98.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.827 0.346 . . . . 0.0 110.325 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.08 -44.5 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.28999999999999998 109.71 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.33 -43.94 98.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 0.02 109.936 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -60.7 -46.59 89.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.868 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.5 t -59.93 -44.58 94.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.131 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.57 99.77 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -63.85 -42.34 97.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.67 -49.96 75.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.914 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.2 -46.33 90.09 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.2 m -54.56 -43.8 72.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.94 -42.43 99.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.727 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.422 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -59.38 -50.74 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.47 -42.9 93.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.704 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.77 95.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.744 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.18 85.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.656 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.97 -45.7 93.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.303 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.97 -42.46 76.29 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -61.23 -41.43 96.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.9 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.68 96.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.666 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.76 -30.14 69.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.057 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.65 -4.61 58.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.83 17.4 70.34 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.43 79.77 2.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.307 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.98 -33.84 77.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.573 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.32 -48.47 77.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.034 0.445 . . . . 0.0 110.781 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.67 81.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.368 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.12 80.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.566 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.73 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.62 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.09 98.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.686 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 84.5 mmm -65.74 -40.45 92.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.534 ' HE3' HG23 ' B' ' 92' ' ' THR . 94.0 mtp -62.69 -41.29 99.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.441 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.03 -40.36 97.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.257 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 42.0 t -61.37 -46.66 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.487 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.49 -42.99 93.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.269 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' B' ' 46' ' ' MET . 18.6 tmm? -60.09 -43.68 95.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.285 0.564 . . . . 0.0 110.613 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.79 97.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.12 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' B' ' 18' ' ' ALA . 89.1 mt -65.2 -40.39 94.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.772 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -60.61 -42.21 96.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.341 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.23 -39.73 93.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.173 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.53 -45.76 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.489 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.83 -39.68 89.96 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.089999999999999997 110.297 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 53' ' ' LEU . 41.1 mt -60.25 -43.89 95.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.375 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.55 -43.6 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.986 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.425 ' OE1' HD13 ' B' ' 11' ' ' LEU . 67.4 tp60 -59.46 -43.97 93.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.216 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -57.6 -41.99 82.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.059999999999999998 109.923 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.73 -39.49 94.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 110.593 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.5 HD11 HG11 ' B' ' 7' ' ' VAL . 95.8 mt -63.98 -30.76 71.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.691 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.9 mt -85.46 -32.38 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.09 -0.505 . . . . 0.040000000000000001 110.789 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.427 ' O ' HG23 ' B' ' 75' ' ' VAL . 89.5 p . . . . . 0 N--CA 1.461 0.075 0 CA-C-O 121.033 0.444 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 39.6 mt -60.02 -42.22 93.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.583 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.571 HG13 HG21 ' B' ' 8' ' ' VAL . 54.6 t -64.72 -45.53 94.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.609 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.61 -42.3 95.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.09 0.471 . . . . 0.11 110.93 -178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 71' ' ' SER . 53.3 t -59.57 -46.61 92.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.785 -0.643 . . . . 0.38 110.286 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -58.25 -45.7 87.33 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.82 -0.352 . . . . 1.1100000000000001 110.32 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.96 91.8 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.903 0.383 . . . . 0.059999999999999998 110.395 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -62.71 -40.83 98.39 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.079 -0.51 . . . . 1.0900000000000001 110.217 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.564 ' O ' HG23 ' B' ' 83' ' ' THR . 37.6 tp -55.35 -47.01 76.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -68.49 -45.66 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.302 -0.408 . . . . 0.080000000000000002 110.747 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.93 -49.54 75.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.03 -44.25 97.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.238 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.6 p -62.09 -45.11 94.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.177 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -62.79 -47.31 84.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.581 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.2 tpp -59.35 -48.24 82.38 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.455 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.35 -45.28 95.05 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.101 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.19 80.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.911 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -59.65 -44.57 93.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.248 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -60.71 -46.59 89.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.154 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.01 -41.68 95.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.156 0.503 . . . . 0.0 110.064 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.422 HD13 ' HB1' ' B' ' 22' ' ' ALA . 67.0 mt -60.73 -41.99 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.141 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.534 HG23 ' HE3' ' B' ' 41' ' ' MET . 72.0 m -57.03 -46.0 82.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.075 0.464 . . . . 0.0 109.921 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.479 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.561 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.0 mt -60.29 -43.76 95.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.89 -43.13 97.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.572 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . 0.458 ' HG2' ' HZ3' ' B' ' 100' ' ' LYS . 84.3 tt0 -59.21 -39.49 82.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.748 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.86 HD21 ' NE2' ' C' ' 98' ' ' HIS . 34.7 mt -61.64 -41.81 98.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.845 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.836 ' NE2' HD21 ' A' ' 97' ' ' LEU . 74.3 m80 -58.8 -40.36 83.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.759 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.43 -41.16 96.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.122 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . 0.458 ' HZ3' ' HG2' ' B' ' 96' ' ' GLU . 60.7 mttp -63.87 -37.57 87.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.176 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 179.628 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.752 ' O ' HG23 ' C' ' 8' ' ' VAL . 94.8 mt . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.55 -50.51 71.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.796 0.331 . . . . 1.9399999999999999 110.387 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.01 -36.84 80.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.489 HG11 HD11 ' C' ' 58' ' ' LEU . 94.5 t -64.42 -43.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.349 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.752 HG23 ' O ' ' C' ' 4' ' ' LEU . 71.2 t -60.91 -44.46 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.968 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 87.5 mtp -58.84 -40.81 85.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.545 -0.539 . . . . 0.17999999999999999 109.545 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.17 -42.67 96.3 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.417 HD13 ' OE1' ' C' ' 55' ' ' GLN . 85.6 mt -62.95 -42.81 99.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.939 0.399 . . . . 0.0 110.425 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.37 -44.57 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.968 -0.56 . . . . 0.29999999999999999 109.717 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.18 -43.73 98.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.02 110.075 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.13 -46.67 89.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.812 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 35.1 t -59.86 -44.55 94.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.189 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.96 99.72 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -63.74 -42.42 97.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.494 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.51 -50.27 74.38 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.92 -46.77 88.3 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -54.22 -44.03 71.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.67 -42.35 99.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.721 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.437 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -59.44 -51.12 71.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.24 -42.9 92.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.493 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.7 95.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.712 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.68 -44.02 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.502 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.37 -45.36 94.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.434 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.95 -43.12 77.17 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -60.79 -41.33 95.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.894 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.59 96.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.843 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.95 -29.93 69.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.11 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.56 -4.58 57.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.447 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.04 17.01 70.75 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.22 79.73 2.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.713 0.292 . . . . 0.0 110.253 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -65.03 -33.94 77.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.629 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.31 -48.26 78.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.015 0.436 . . . . 0.0 110.651 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.75 81.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.436 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.51 82.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.49 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.22 -43.51 98.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.597 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.44 98.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 84.2 mmm -65.37 -40.85 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.564 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.517 ' HE1' HG23 ' C' ' 92' ' ' THR . 94.0 mtp -62.47 -41.23 98.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.668 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -61.38 -43.07 99.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.445 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.18 -40.11 96.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 43.5 t -61.82 -46.2 90.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.518 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.416 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 75.9 ttt180 -59.81 -42.7 94.04 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.311 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . 0.541 ' C ' ' SD ' ' C' ' 46' ' ' MET . 18.6 tmm? -60.62 -43.39 97.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 110.554 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.96 98.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.344 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.494 HD21 ' CB ' ' C' ' 18' ' ' ALA . 89.2 mt -65.23 -40.42 94.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 52.0 t-20 -60.78 -42.45 97.53 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.317 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.87 -40.12 94.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.017 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.23 75.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.401 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.44 -39.66 88.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.089999999999999997 110.307 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.53 -43.43 97.15 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.35 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.77 -43.67 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.013 0.435 . . . . 0.0 109.946 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.417 ' OE1' HD13 ' C' ' 11' ' ' LEU . 67.2 tp60 -59.43 -44.21 92.95 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.205 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.754 HG21 HG22 ' D' ' 356' ' ' THR . 18.8 m -57.21 -42.21 80.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.059999999999999998 110.203 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.73 -39.11 93.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.505 HD22 ' CD2' ' C' ' 4' ' ' LEU . 95.7 mt -63.99 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.772 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -85.45 -32.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.935 -0.575 . . . . 0.059999999999999998 110.864 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 CA--C 1.519 -0.231 0 CA-C-O 120.591 0.234 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.558 HG13 HG21 ' C' ' 8' ' ' VAL . 57.0 t -65.42 -46.4 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 130.131 3.372 . . . . 0.0 110.596 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.46 -42.26 87.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.071 0.462 . . . . 0.11 110.975 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.72 -46.88 92.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.792 -0.64 . . . . 0.40000000000000002 110.19 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -58.38 -45.61 87.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.727 0.299 . . . . 1.02 110.338 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.05 90.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.924 0.392 . . . . 0.059999999999999998 110.424 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -62.57 -40.97 98.55 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.196 -0.456 . . . . 1.0900000000000001 110.235 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.569 ' O ' HG23 ' C' ' 83' ' ' THR . 37.5 tp -55.13 -47.12 75.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.452 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -68.64 -45.61 71.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.347 -0.388 . . . . 0.080000000000000002 110.759 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.8 -49.39 76.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.819 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . 0.551 ' SD ' HD21 ' A' ' 79' ' ' LEU . 93.6 mtp -62.29 -44.16 97.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.386 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.569 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.9 p -62.05 -45.17 94.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.198 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.76 -47.54 83.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 9.1 tpp -58.88 -48.3 81.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.534 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.41 -45.39 94.53 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.134 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.63 -47.4 79.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.987 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.416 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 78.7 ttt-85 -59.42 -44.79 92.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.21 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.22 -46.66 88.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.234 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.29 -41.87 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.119 0.485 . . . . 0.0 110.008 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.437 HD13 ' HB1' ' C' ' 22' ' ' ALA . 66.0 mt -60.38 -41.77 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.325 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.517 HG23 ' HE1' ' C' ' 41' ' ' MET . 71.0 m -57.35 -45.93 83.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.146 0.498 . . . . 0.0 109.975 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.93 -42.58 99.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.491 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.559 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.3 mt -60.36 -43.82 96.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.48 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.86 -43.06 96.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.504 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . 0.42 ' HG2' ' HZ3' ' C' ' 100' ' ' LYS . 84.2 tt0 -59.0 -39.66 82.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.098 0.475 . . . . 0.0 109.725 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.714 HD21 ' NE2' ' A' ' 98' ' ' HIS . 36.0 mt -61.49 -41.59 97.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.938 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.86 ' NE2' HD21 ' B' ' 97' ' ' LEU . 74.4 m80 -59.36 -39.86 84.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' C' ' 103' ' ' ALA . 83.3 tt0 -61.8 -41.21 97.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.048 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . 0.42 ' HZ3' ' HG2' ' C' ' 96' ' ' GLU . 60.8 mttp -63.59 -37.88 89.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.196 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.53 -41.1 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.293 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -91.17 -7.67 50.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 121.881 0.848 . . . . 0.0 108.977 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.81 143.01 36.65 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.33 38.61 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.973 -1.08 . . . . 0.0 109.573 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.17 149.14 28.43 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.3 19.0 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.095 -1.003 . . . . 0.0 108.348 178.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.85 144.38 19.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.68 136.57 37.03 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.14 0.971 . . . . 0.0 110.069 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.32 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 177.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.9 -4.27 19.35 Favored 'General case' 0 C--N 1.265 -3.099 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.808 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.56 141.88 85.75 Favored Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 119.67 -1.894 . . . . 0.0 110.632 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.5 -47.63 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 124.754 3.636 . . . . 0.0 114.158 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -102.17 27.52 6.6 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 116.07 -2.252 . . . . 0.0 108.768 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 65.94 -127.27 30.29 Favored Glycine 0 N--CA 1.497 2.721 0 C-N-CA 117.725 -2.178 . . . . 0.0 109.543 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 7.0 tp -127.07 79.1 1.86 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.983 -1.304 . . . . 0.0 109.463 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.96 173.98 8.99 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 117.815 -1.554 . . . . 0.0 112.182 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 6.8 p -22.57 -68.6 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -176.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.52 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.0 ttt-85 -45.75 -66.34 0.52 Allowed Pre-proline 0 N--CA 1.493 1.7 0 C-N-CA 120.125 -0.63 . . . . 0.0 112.456 -177.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' D' ' 317' ' ' ARG . 20.8 Cg_endo -64.06 -32.18 64.61 Favored 'Trans proline' 0 C--N 1.315 -1.212 0 C-N-CA 121.821 1.681 . . . . 0.0 111.497 176.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.484 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.95 -38.88 86.93 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.253 -0.904 . . . . 0.0 109.451 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.99 -39.67 72.33 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.97 -39.41 94.06 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 118.013 -1.475 . . . . 0.0 109.515 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.67 -45.3 93.43 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 122.575 1.179 . . . . 0.0 108.723 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.484 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.5 t -62.62 -42.27 95.35 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.679 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.488 ' NZ ' HD13 ' A' ' 13' ' ' ILE . 81.6 mttt -63.84 -40.29 96.24 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.227 -0.921 . . . . 0.0 109.795 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.75 -39.78 80.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.501 -0.749 . . . . 0.0 109.536 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.94 91.74 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.658 -1.276 . . . . 0.0 109.4 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.35 -16.19 43.65 Favored 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.99 -10.49 86.23 Favored Glycine 0 N--CA 1.479 1.549 0 O-C-N 119.941 -1.724 . . . . 0.0 109.336 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.28 32.93 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.191 -1.77 . . . . 0.0 110.044 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.56 -30.03 59.54 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.18 -0.95 . . . . 0.0 112.31 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.54 10.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 119.8 -1.813 . . . . 0.0 112.819 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.29 35.41 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 171.27 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.67 136.64 60.23 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.435 0 CA-C-O 122.203 1.001 . . . . 0.0 109.333 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.91 143.17 51.0 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 123.042 1.401 . . . . 0.0 109.991 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.2 t -108.13 129.95 61.5 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.733 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 173.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.42 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.45 119.5 26.27 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.84 -1.162 . . . . 0.0 108.951 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.2 t -122.46 122.65 39.47 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.935 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.67 38.99 24.2 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.946 -1.096 . . . . 0.0 112.801 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 10.98 83.59 Favored Glycine 0 N--CA 1.5 2.939 0 O-C-N 119.873 -1.767 . . . . 0.0 112.585 177.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.85 136.29 54.54 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.274 -2.121 . . . . 0.0 105.274 177.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.8 158.54 33.12 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.748 1.737 . . . . 0.0 112.492 -176.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.44 31.47 Favored 'General case' 0 C--N 1.278 -2.515 0 CA-C-N 112.492 -2.14 . . . . 0.0 108.548 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.59 135.94 48.85 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 105.612 -1.995 . . . . 0.0 105.612 173.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.9 -6.81 47.61 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.769 -1.207 . . . . 0.0 110.785 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.5 12.91 31.72 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.603 -1.31 . . . . 0.0 109.332 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 98.5 p -133.07 104.19 6.4 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.185 0.993 . . . . 0.0 110.167 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.19 -37.92 72.89 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.992 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -58.96 -51.33 70.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.602 -1.312 . . . . 0.0 113.017 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.05 -32.49 70.64 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 119.575 -1.953 . . . . 0.0 109.165 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.69 75.72 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.971 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.547 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.65 -10.46 52.45 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.615 -0.678 . . . . 0.0 109.989 -177.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 40.2 p -89.76 -7.74 53.79 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 118.087 -1.445 . . . . 0.0 110.982 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.3 159.35 15.31 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.243 -0.91 . . . . 0.0 110.201 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.87 2.97 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 106.931 -2.468 . . . . 0.0 106.931 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.1 mt -119.64 47.38 1.73 Allowed 'General case' 0 C--N 1.31 -1.134 0 O-C-N 120.666 -1.491 . . . . 0.0 107.42 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.754 HG22 HG21 ' C' ' 56' ' ' THR . 47.9 p -81.45 172.52 13.42 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.168 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.69 140.96 57.31 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.801 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.22 79.09 Favored Glycine 0 N--CA 1.501 3.001 0 C-N-CA 119.953 -1.118 . . . . 0.0 111.348 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.45 135.96 34.04 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.884 -1.362 . . . . 0.0 110.605 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.63 123.75 49.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.481 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.2 m -112.24 160.04 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 117.4 -1.72 . . . . 0.0 110.59 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.42 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.3 m -108.84 128.29 54.77 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.517 -1.364 . . . . 0.0 107.631 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.82 121.42 60.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 176.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.405 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.22 50.7 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.547 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.39 47.24 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.825 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.14 110.8 6.44 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 118.588 -1.245 . . . . 0.0 107.996 178.214 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.2 -170.26 40.1 Favored Glycine 0 C--N 1.295 -1.696 0 C-N-CA 118.011 -2.042 . . . . 0.0 110.328 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.64 82.8 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-N 114.338 -0.931 . . . . 0.0 112.201 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.0 36.67 3.58 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 115.946 -2.302 . . . . 0.0 108.614 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.34 -33.52 65.71 Favored 'General case' 0 N--CA 1.521 3.108 0 N-CA-C 116.831 2.159 . . . . 0.0 116.831 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.435 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.56 27.43 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 119.583 -1.948 . . . . 0.0 110.984 -176.527 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.814 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.7 -40.6 97.18 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.47 77.74 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 117.437 -1.705 . . . . 0.0 110.078 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.0 t -66.83 -42.19 88.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-O 122.279 1.038 . . . . 0.0 109.289 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.93 76.45 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 122.119 0.961 . . . . 0.0 108.732 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.814 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.82 -38.35 76.54 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.657 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.4 mt -75.52 -28.71 59.21 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.347 -1.471 . . . . 0.0 110.887 -174.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -39.54 71.56 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.408 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.86 -49.29 62.93 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.27 -45.22 84.27 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.512 177.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.481 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.4 -37.32 85.31 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.838 -1.164 . . . . 0.0 111.517 -177.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.82 61.68 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.133 -0.979 . . . . 0.0 110.252 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.92 -32.3 45.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.492 -0.755 . . . . 0.0 111.346 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.46 12.26 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 124.289 1.995 . . . . 0.0 112.847 178.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.808 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.7 tt0 . . . . . 0 C--N 1.276 -2.589 0 CA-C-N 111.136 -2.757 . . . . 0.0 110.136 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.7 mt . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.63 -47.43 78.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.848 0.356 . . . . 1.9399999999999999 110.293 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.91 -35.88 79.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.245 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.65 -42.97 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.386 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.655 HG21 HG13 ' A' ' 73' ' ' VAL . 70.2 t -60.88 -43.94 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.92 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.44 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.3 mtp -59.2 -42.45 90.94 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.512 -0.551 . . . . 0.17999999999999999 109.512 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.4 -41.86 97.9 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.38 -42.34 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.154 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.0 -44.21 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.20000000000000001 109.748 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.519 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.9 mt -63.9 -44.09 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.992 -0.549 . . . . 0.01 109.995 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.415 HD22 ' HA ' ' A' ' 14' ' ' ASN . 7.7 m120 -61.98 -45.76 92.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.784 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.29 -44.59 95.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.931 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.64 -43.38 99.07 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.48 -43.5 97.11 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -50.17 74.48 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.889 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.61 -45.94 90.44 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.423 ' HB2' HH22 ' D' ' 317' ' ' ARG . 11.7 t -55.68 -43.99 76.88 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.91 -43.15 96.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.68 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.02 -50.87 72.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.26 -40.86 87.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.622 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.64 88.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.763 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.35 86.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.717 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.28 -45.36 94.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.505 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.69 -41.72 74.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.62 -41.91 98.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.765 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.76 92.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.719 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.56 -29.04 69.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.152 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -81.14 -5.04 57.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.482 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.84 15.36 67.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.7 79.64 2.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.744 0.306 . . . . 0.0 110.267 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.56 -34.47 78.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.629 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.35 84.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.007 0.432 . . . . 0.0 110.742 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.94 -35.47 80.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.377 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.63 82.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.573 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -62.44 -42.48 99.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.665 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.22 97.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.738 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.55 -42.0 92.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.519 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.515 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.9 mtm -64.73 -40.45 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.635 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -61.51 -47.94 83.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.013 0.435 . . . . 0.0 110.558 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.42 -41.11 98.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.219 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.28 -46.74 89.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.539 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -60.43 -42.99 97.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.326 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.81 -43.62 97.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.243 0.544 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.223 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.665 HD21 ' OG ' ' A' ' 84' ' ' SER . 12.5 mt -65.43 -39.52 92.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.59 -43.23 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.236 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.43 -39.86 92.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.228 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.9 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.47 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -61.13 -39.39 89.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.019 -0.537 . . . . 0.089999999999999997 110.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.9 mt -60.21 -43.87 95.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.77 -42.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.973 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.83 -43.87 97.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.247 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.5 m -56.46 -43.32 79.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.059999999999999998 110.045 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.15 -39.37 92.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.49 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' A' ' 4' ' ' LEU . 96.0 mt -64.93 -31.28 72.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.663 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.471 ' CG1' HD22 ' A' ' 74' ' ' LEU . 96.6 mt -84.0 -33.38 9.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.050000000000000003 110.871 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.476 -179.813 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.505 ' O ' HG23 ' A' ' 75' ' ' VAL . 95.7 p . . . . . 0 C--O 1.227 -0.118 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.18 -44.47 83.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.665 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.655 HG13 HG21 ' A' ' 8' ' ' VAL . 66.6 t -64.46 -48.02 86.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.865 0.364 . . . . 0.0 110.553 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.471 HD22 ' CG1' ' A' ' 59' ' ' ILE . 97.4 mt -64.07 -42.16 97.08 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.228 -0.442 . . . . 0.11 110.928 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 71' ' ' SER . 53.3 t -59.5 -47.63 90.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.726 -0.67 . . . . 0.38 110.103 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -58.16 -46.95 84.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.799 0.333 . . . . 0.0 110.347 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.89 96.1 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.75 0.31 . . . . 0.059999999999999998 110.612 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.457 HE21 ' HG2' ' A' ' 82' ' ' MET . 61.3 tp60 -62.62 -41.47 99.02 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.248 -0.433 . . . . 1.0900000000000001 110.166 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 83' ' ' THR . 40.8 tp -56.48 -46.75 80.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.417 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.442 ' O ' ' OG1' ' A' ' 83' ' ' THR . 47.1 m80 -67.36 -46.17 74.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.302 -0.408 . . . . 0.080000000000000002 110.665 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.72 -46.21 91.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.793 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.457 ' HG2' HE21 ' A' ' 78' ' ' GLN . 87.5 mmm -61.04 -42.48 98.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.182 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.8 p -62.84 -45.15 93.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.125 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.665 ' OG ' HD21 ' A' ' 48' ' ' LEU . 11.6 t -62.57 -49.12 76.55 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.449 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.82 -48.26 80.26 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.719 0.295 . . . . 0.0 110.58 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.25 -45.19 95.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 110.068 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.29 83.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.869 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 HD12 ' A' ' 48' ' ' LEU . 56.6 ttp180 -57.8 -45.87 85.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.143 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.583 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 98.1 mt-10 -62.1 -43.51 98.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.086 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.43 -43.0 91.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.13 0.491 . . . . 0.0 109.856 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.553 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 70.9 mt -60.25 -42.36 90.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.238 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.0 m -57.68 -45.98 84.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.83 -44.64 95.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.562 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.79 -44.42 90.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.515 HD12 ' SD ' ' A' ' 41' ' ' MET . 91.1 mt -61.37 -42.82 95.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.483 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -60.91 -39.39 89.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.63 -41.59 99.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.786 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -59.29 -39.65 83.65 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -63.25 -38.83 92.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.554 ' NZ ' ' CD2' ' B' ' 98' ' ' HIS . 98.2 mttt -64.57 -39.5 93.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.214 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.391 179.778 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.617 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.8 mt . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.573 0.225 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.74 -47.49 78.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.863 0.363 . . . . 1.9399999999999999 110.32 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.61 -35.98 79.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.237 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.56 -43.26 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.34 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.639 HG21 HG13 ' B' ' 73' ' ' VAL . 70.6 t -60.84 -43.71 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.87 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -59.54 -42.06 91.48 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.501 -0.555 . . . . 0.17999999999999999 109.501 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.04 97.51 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.3 -42.52 99.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.826 0.346 . . . . 0.0 110.421 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.87 -44.4 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.28999999999999998 109.685 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.57 -44.29 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.875 -0.602 . . . . 0.02 109.926 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -61.8 -45.6 93.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.851 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.45 -44.44 95.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.09 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.26 99.23 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.55 -43.59 96.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.23 74.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.915 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.583 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 76.7 ttt180 -59.6 -45.88 90.61 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -55.81 -43.87 77.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.91 -43.33 96.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.747 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.553 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -58.9 -51.08 71.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.47 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.0 m-85 -59.27 -40.8 87.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.691 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.81 88.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.685 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.23 86.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.612 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.62 -45.46 93.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.383 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.66 -41.77 74.12 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.51 -41.93 98.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.857 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.84 93.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.667 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.3 -29.15 69.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.084 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -81.34 -4.87 56.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.387 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.59 15.57 68.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.77 79.2 2.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.714 0.292 . . . . 0.0 110.303 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -64.34 -34.51 78.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.604 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.44 -47.62 83.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.947 0.403 . . . . 0.0 110.742 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.2 80.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.429 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.75 -47.83 81.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.555 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.28 -42.74 99.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.556 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.3 98.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.62 -42.22 91.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.527 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.522 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.9 mtm -64.27 -40.67 96.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.557 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.68 -47.93 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.458 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.28 -41.01 98.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.269 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.49 -46.61 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.457 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -60.7 -42.86 98.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.332 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -60.76 -43.51 97.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.225 0.536 . . . . 0.0 110.617 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.28 99.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.177 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.674 HD21 ' OG ' ' B' ' 84' ' ' SER . 12.0 mt -65.55 -39.62 91.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.756 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.61 -43.12 97.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.03 -40.06 94.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.172 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.92 76.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.453 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.33 -39.09 89.24 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.089999999999999997 110.248 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.44 -43.99 96.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.39 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.37 -43.48 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.08 0.467 . . . . 0.0 110.029 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -60.15 -44.11 95.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.8 m -56.49 -43.37 79.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.059999999999999998 110.01 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.16 -39.17 91.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.568 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' B' ' 4' ' ' LEU . 96.3 mt -64.9 -31.21 72.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.756 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.462 ' CG1' HD22 ' B' ' 74' ' ' LEU . 96.8 mt -83.97 -33.69 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.023 -0.535 . . . . 0.040000000000000001 110.691 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 -179.771 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.545 ' O ' HG23 ' B' ' 75' ' ' VAL . 91.9 p . . . . . 0 N--CA 1.461 0.083 0 CA-C-O 120.979 0.418 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.16 -44.14 95.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.581 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.639 HG13 HG21 ' B' ' 8' ' ' VAL . 58.9 t -63.68 -47.31 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.576 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.462 HD22 ' CG1' ' B' ' 59' ' ' ILE . 97.2 mt -64.63 -41.16 96.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.076 0.465 . . . . 0.11 111.004 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 71' ' ' SER . 52.5 t -60.4 -46.88 94.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.766 -0.652 . . . . 0.38 110.307 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.475 ' CE1' ' CE1' ' B' ' 80' ' ' HIS . 58.7 t-80 -58.95 -46.41 88.11 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.763 -0.375 . . . . 1.1100000000000001 110.339 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.55 95.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.866 0.365 . . . . 0.059999999999999998 110.379 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.469 HE21 ' HG2' ' B' ' 82' ' ' MET . 62.1 tp60 -63.16 -41.26 99.22 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.119 -0.491 . . . . 1.0900000000000001 110.221 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.501 ' O ' HG23 ' B' ' 83' ' ' THR . 41.4 tp -56.87 -46.6 81.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.382 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.475 ' CE1' ' CE1' ' B' ' 76' ' ' HIS . 47.9 m80 -67.35 -46.18 74.15 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.734 -0.386 . . . . 0.080000000000000002 110.687 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.84 -46.36 90.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.844 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . 0.469 ' HG2' HE21 ' B' ' 78' ' ' GLN . 87.6 mmm -60.41 -43.31 96.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.235 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.501 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.1 p -62.17 -45.77 91.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.206 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.674 ' OG ' HD21 ' B' ' 48' ' ' LEU . 11.8 t -61.66 -49.33 76.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.642 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.98 -48.14 80.89 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.456 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.45 -44.74 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.72 83.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.89 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.407 HH11 HD12 ' B' ' 48' ' ' LEU . 56.5 ttp180 -57.47 -46.09 84.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.595 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 97.8 mt-10 -61.66 -43.72 98.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.096 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.67 -42.51 91.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.121 0.486 . . . . 0.0 110.011 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.553 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 73.1 mt -60.38 -42.18 89.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.19 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 71.8 m -58.13 -45.48 87.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.039 0.447 . . . . 0.0 109.874 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.18 -44.47 95.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.491 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.87 -44.45 91.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.522 HD12 ' SD ' ' B' ' 41' ' ' MET . 90.5 mt -61.44 -42.96 95.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.553 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -60.59 -39.5 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.67 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.55 -41.31 98.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.873 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.554 ' CD2' ' NZ ' ' A' ' 100' ' ' LYS . 60.1 m80 -59.34 -39.9 84.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.789 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -63.03 -38.96 93.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.115 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . 0.56 ' NZ ' ' CD2' ' C' ' 98' ' ' HIS . 98.2 mttt -64.38 -39.96 94.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.213 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.423 179.704 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.635 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.6 mt . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.575 0.226 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.61 -47.8 77.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.879 0.371 . . . . 1.9399999999999999 110.396 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.43 -36.04 80.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.298 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.409 HG11 HD11 ' C' ' 58' ' ' LEU . 76.2 t -63.41 -42.91 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.324 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.635 HG23 ' O ' ' C' ' 4' ' ' LEU . 69.6 t -61.19 -43.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.979 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.1 -42.4 90.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.624 -0.51 . . . . 0.17999999999999999 109.624 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.75 98.03 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.54 -42.23 98.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.403 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.16 -44.09 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.956 -0.565 . . . . 0.29999999999999999 109.712 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.8 -44.18 98.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.538 . . . . 0.02 110.048 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -61.88 -45.71 92.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.781 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.36 -44.43 95.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.17 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.04 -42.91 99.5 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.8 -43.55 95.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.22 74.23 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.595 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 76.7 ttt180 -59.32 -46.2 89.24 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 12.0 t -55.58 -44.17 76.64 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.59 -43.04 98.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.773 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.559 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.14 -51.11 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.455 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 7.9 m-85 -59.24 -40.95 87.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.508 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.9 88.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.694 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.42 86.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.525 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.34 -45.35 94.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.474 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.86 -41.3 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.08 -41.62 98.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.891 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.81 93.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.803 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.62 -29.15 69.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.085 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -80.98 -4.84 56.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.475 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.55 15.45 68.43 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -99.01 79.53 2.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.718 0.294 . . . . 0.0 110.302 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -64.67 -34.39 78.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.551 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.57 83.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 110.708 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.35 80.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.416 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.99 80.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.447 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -61.76 -42.85 99.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.651 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.63 99.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.743 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.41 -42.16 92.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.522 ' SD ' HD12 ' C' ' 95' ' ' ILE . 75.0 mtm -64.36 -40.53 96.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.58 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -61.77 -48.33 81.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.424 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.73 -41.53 99.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.01 -46.69 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -60.88 -42.44 97.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.326 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.1 ttp -61.14 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.311 0.576 . . . . 0.0 110.537 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.31 99.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.312 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.663 HD21 ' OG ' ' C' ' 84' ' ' SER . 12.2 mt -65.54 -40.05 92.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.793 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.13 -43.18 95.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.27 -40.45 93.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.089 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -44.96 78.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.454 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.556 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.1 t60 -61.16 -39.31 89.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.991 -0.55 . . . . 0.089999999999999997 110.347 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' C' ' 53' ' ' LEU . 38.4 mt -60.54 -44.04 96.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.04 -43.4 96.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.002 0.43 . . . . 0.0 109.979 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -60.4 -44.12 96.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.246 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.747 HG21 HG22 ' D' ' 356' ' ' THR . 17.1 m -56.36 -43.19 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.059999999999999998 110.11 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.34 -38.97 91.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 110.508 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' C' ' 4' ' ' LEU . 97.1 mt -65.06 -31.09 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.792 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.471 ' CG1' HD22 ' C' ' 74' ' ' LEU . 96.9 mt -84.05 -33.55 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.059999999999999998 110.852 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.463 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' C' ' 72' ' ' LEU . 48.7 mt . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 120.657 0.265 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.596 HG13 HG21 ' C' ' 8' ' ' VAL . 53.7 t -65.25 -47.37 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 130.108 3.363 . . . . 0.0 110.592 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.471 HD22 ' CG1' ' C' ' 59' ' ' ILE . 95.5 mt -67.03 -40.57 87.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.084 0.468 . . . . 0.11 110.998 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 52.4 t -60.93 -47.36 93.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.833 -0.621 . . . . 0.40000000000000002 110.218 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 58.9 t-80 -58.85 -46.51 87.57 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.845 -0.342 . . . . 1.02 110.371 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.54 95.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.88 0.371 . . . . 0.059999999999999998 110.44 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.47 HE21 ' HG2' ' C' ' 82' ' ' MET . 61.8 tp60 -62.95 -41.25 99.46 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0900000000000001 110.305 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.513 ' O ' HG23 ' C' ' 83' ' ' THR . 41.5 tp -56.9 -46.52 81.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.517 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 48.9 m80 -67.53 -45.94 74.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.3 -0.409 . . . . 0.080000000000000002 110.808 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.05 -45.96 92.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.807 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . 0.47 ' HG2' HE21 ' C' ' 78' ' ' GLN . 87.5 mmm -60.89 -43.19 98.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.45 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.513 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.7 p -62.1 -45.54 93.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.194 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . 0.663 ' OG ' HD21 ' C' ' 48' ' ' LEU . 11.5 t -62.19 -49.15 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.08 -47.85 81.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.713 0.292 . . . . 0.0 110.535 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.56 -44.76 96.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.929 0.395 . . . . 0.0 110.152 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.28 84.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.968 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.416 HH11 HD12 ' C' ' 48' ' ' LEU . 56.6 ttp180 -57.71 -46.23 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.275 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.36 -43.91 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 0.0 110.165 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.41 -42.82 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.245 0.545 . . . . 0.0 110.033 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.559 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 74.0 mt -60.15 -42.22 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.402 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -58.13 -45.34 87.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.093 0.473 . . . . 0.0 110.021 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.3 -44.27 95.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.52 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 84.7 mt -58.99 -44.55 91.62 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.522 HD12 ' SD ' ' C' ' 41' ' ' MET . 90.1 mt -61.29 -43.01 95.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.557 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -60.38 -39.65 88.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.748 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.43 -41.83 99.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.879 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.56 ' CD2' ' NZ ' ' B' ' 100' ' ' LYS . 60.3 m80 -58.89 -40.05 83.3 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.3 tm-20 -62.88 -39.02 93.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.114 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.28 -39.62 94.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.24 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.81 -42.53 94.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.314 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.3 mttp -90.6 140.57 29.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.504 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.554 -179.919 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.857 0.837 . . . . 0.0 108.957 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.8 142.98 36.66 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.94 156.39 38.8 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.054 -1.029 . . . . 0.0 109.521 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.19 149.18 28.47 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.33 18.97 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.981 -1.074 . . . . 0.0 108.372 178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.8 144.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.7 136.6 37.0 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.158 0.98 . . . . 0.0 110.165 177.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.98 114.31 24.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.88 -4.27 19.37 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.82 85.84 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.696 -1.878 . . . . 0.0 110.631 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.49 -47.69 12.84 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 124.749 3.633 . . . . 0.0 114.17 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.556 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 99.1 m-20 -102.13 27.56 6.55 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 116.082 -2.247 . . . . 0.0 108.795 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.22 -127.14 26.65 Favored Glycine 0 N--CA 1.496 2.696 0 C-N-CA 117.61 -2.233 . . . . 0.0 109.617 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.548 HD21 HD23 ' D' ' 384' ' ' LEU . 0.8 OUTLIER -130.02 74.92 1.62 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.915 -1.344 . . . . 0.0 109.551 -177.323 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -80.07 175.43 10.65 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.883 -1.527 . . . . 0.0 112.145 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 63.9 p -22.99 -69.09 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.423 HH22 ' HB2' ' A' ' 20' ' ' SER . 18.7 ttt180 -44.02 -66.0 0.52 Allowed Pre-proline 0 N--CA 1.493 1.683 0 C-N-CA 120.104 -0.638 . . . . 0.0 112.554 -177.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.71 -32.25 57.41 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 121.973 1.782 . . . . 0.0 111.469 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.503 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.83 86.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.208 -0.932 . . . . 0.0 109.47 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.94 -39.69 72.49 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.94 -39.38 94.03 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 117.999 -1.48 . . . . 0.0 109.516 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.68 -45.3 93.42 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.569 1.176 . . . . 0.0 108.692 -177.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.503 HG23 ' O ' ' D' ' 319' ' ' ALA . 61.1 t -62.68 -42.3 95.56 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.645 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.443 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 95.7 mttt -63.85 -40.22 96.07 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.784 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.66 79.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 109.589 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.01 91.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.571 -1.331 . . . . 0.0 109.444 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.42 -16.09 43.38 Favored 'General case' 0 N--CA 1.511 2.588 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.69 86.03 Favored Glycine 0 N--CA 1.479 1.531 0 O-C-N 119.921 -1.737 . . . . 0.0 109.3 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.33 143.34 32.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.26 -1.729 . . . . 0.0 110.054 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.67 -29.98 59.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.276 -0.89 . . . . 0.0 112.312 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.73 158.55 10.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.778 -1.826 . . . . 0.0 112.82 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.585 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.29 35.46 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 171.186 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.58 60.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 CA-C-O 122.176 0.989 . . . . 0.0 109.306 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.98 143.23 51.0 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 123.124 1.44 . . . . 0.0 109.973 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.6 t -108.05 129.92 61.43 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.683 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.0 m -127.44 119.6 26.49 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.831 -1.168 . . . . 0.0 108.971 -178.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.56 122.59 39.24 Favored 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.872 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.79 38.87 24.3 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.908 -1.12 . . . . 0.0 112.752 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.62 11.05 83.54 Favored Glycine 0 N--CA 1.502 3.046 0 O-C-N 119.853 -1.779 . . . . 0.0 112.519 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.88 136.25 54.57 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 105.274 -2.121 . . . . 0.0 105.274 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.73 158.5 33.12 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-O 123.76 1.743 . . . . 0.0 112.46 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.36 31.37 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 112.539 -2.118 . . . . 0.0 108.646 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.55 136.02 48.97 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.429 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.95 -6.87 48.19 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.727 -1.233 . . . . 0.0 110.695 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.44 12.93 31.57 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.61 -1.306 . . . . 0.0 109.392 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.1 t -133.09 104.13 6.36 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 122.206 1.003 . . . . 0.0 110.119 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.44 HD22 ' CE ' ' A' ' 9' ' ' MET . 55.1 tp -57.2 -37.91 72.89 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.985 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -58.84 -51.39 70.2 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.512 -1.368 . . . . 0.0 113.041 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.5 70.7 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 119.538 -1.976 . . . . 0.0 109.225 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.79 75.88 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.888 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.526 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.69 -10.42 52.21 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.63 -0.669 . . . . 0.0 109.883 -177.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.6 p -89.75 -7.74 53.8 Favored 'General case' 0 N--CA 1.501 2.124 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.888 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . 0.404 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.9 mt -93.35 159.31 15.32 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.139 -0.976 . . . . 0.0 110.118 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.83 2.96 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 106.94 -2.464 . . . . 0.0 106.94 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.59 47.41 1.72 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 120.729 -1.453 . . . . 0.0 107.353 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.747 HG22 HG21 ' C' ' 56' ' ' THR . 3.2 p -81.51 172.62 13.27 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.189 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -60.75 140.98 57.38 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.286 -0.966 . . . . 0.0 109.84 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.27 79.1 Favored Glycine 0 N--CA 1.501 3.003 0 C-N-CA 119.996 -1.097 . . . . 0.0 111.384 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.38 135.93 34.09 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.94 -1.329 . . . . 0.0 110.609 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.58 123.78 49.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.485 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.1 m -112.26 160.06 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 C-N-CA 117.347 -1.741 . . . . 0.0 110.611 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.4 m -108.81 128.43 54.89 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.588 -1.32 . . . . 0.0 107.617 175.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.96 121.38 60.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 176.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.27 50.71 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 -179.569 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.33 47.09 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 118.534 -1.267 . . . . 0.0 109.759 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.08 110.78 6.45 Favored 'General case' 0 C--N 1.287 -2.131 0 C-N-CA 118.588 -1.245 . . . . 0.0 108.074 178.212 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.28 40.13 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.047 -2.025 . . . . 0.0 110.378 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.56 82.9 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-N 114.403 -0.899 . . . . 0.0 112.173 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.05 36.72 3.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 115.886 -2.326 . . . . 0.0 108.581 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.59 65.75 Favored 'General case' 0 N--CA 1.521 3.1 0 N-CA-C 116.817 2.154 . . . . 0.0 116.817 -174.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.466 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.66 27.37 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 119.541 -1.974 . . . . 0.0 110.918 -176.507 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.759 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.68 97.6 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.5 77.6 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 117.483 -1.687 . . . . 0.0 110.028 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.73 -42.29 89.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 122.173 0.987 . . . . 0.0 109.283 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.83 -47.95 76.32 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 122.074 0.94 . . . . 0.0 108.712 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.759 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.72 -38.38 76.87 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.753 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.2 mt -75.55 -28.65 59.1 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.447 -1.408 . . . . 0.0 110.904 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.41 -39.54 71.62 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.27 62.93 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.22 -45.23 84.05 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.557 177.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.485 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.3 85.19 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.881 -1.137 . . . . 0.0 111.536 -177.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.81 61.6 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.062 -1.023 . . . . 0.0 110.26 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.89 -32.37 45.78 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.49 -0.756 . . . . 0.0 111.335 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.548 HD23 HD21 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -49.99 125.44 12.08 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 124.317 2.008 . . . . 0.0 112.917 178.674 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.4 mm-40 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.181 -2.736 . . . . 0.0 110.17 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.9 mt . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.8 -47.1 79.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.835 0.35 . . . . 1.9399999999999999 110.274 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -67.22 -37.17 83.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.303 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 58' ' ' LEU . 72.1 t -63.53 -42.72 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.396 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 4' ' ' LEU . 93.5 t -60.22 -44.8 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.928 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.45 -42.14 91.27 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.518 -0.549 . . . . 0.17999999999999999 109.518 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.77 97.8 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 11' ' ' LEU . 36.5 mt -63.24 -42.39 99.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 110.247 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.97 -44.46 99.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.20000000000000001 109.763 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.5 mt -63.43 -43.84 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 0.01 109.987 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.492 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.8 t-20 -60.27 -46.32 90.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.785 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.8 p -59.27 -43.2 92.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.978 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.42 99.68 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.01 -42.73 99.89 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.68 76.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -60.52 -46.33 90.54 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -55.14 -44.85 75.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.97 -42.64 99.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.79 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.651 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.5 -50.25 74.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.44 -42.51 92.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.614 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.23 -42.3 90.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.765 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.79 84.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.641 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.41 -45.35 94.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.459 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.68 ' HZ3' HE21 ' A' ' 31' ' ' GLN . 66.1 tttm -55.63 -43.17 75.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.2 mt-30 -61.66 -41.6 97.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.757 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.75 92.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.699 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.75 -28.98 69.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.146 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.68 HE21 ' HZ3' ' A' ' 27' ' ' LYS . 88.5 mt-30 -79.77 -4.51 52.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.373 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.87 13.46 69.4 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.9 79.54 2.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -64.86 -35.12 80.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.702 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.74 82.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.019 0.437 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -66.07 -35.16 79.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.386 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -48.07 80.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.599 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.01 -42.44 99.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.584 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.23 99.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.65 -40.63 92.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.88 -41.08 99.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -62.47 -44.23 96.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.994 0.426 . . . . 0.0 110.537 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.21 -41.68 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.227 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -60.55 -45.65 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.05 -42.48 98.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.3 tpp -60.98 -43.71 98.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.224 0.535 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.36 99.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.218 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.92 -39.5 90.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -61.37 -41.79 97.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.325 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -65.65 -39.34 91.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.148 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.492 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.68 -43.34 80.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.465 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -62.7 -37.98 88.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.022 -0.535 . . . . 0.089999999999999997 110.325 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.3 mt -61.29 -44.53 97.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.322 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.31 -43.01 95.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.044 0.45 . . . . 0.0 110.061 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.644 HE21 ' CD2' ' A' ' 74' ' ' LEU . 46.1 tp60 -60.47 -42.82 97.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.256 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 m -56.86 -42.91 80.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.059999999999999998 110.055 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.67 -41.02 96.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.535 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.502 HD22 ' CD2' ' A' ' 4' ' ' LEU . 95.1 mt -67.38 -37.39 83.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.502 HD11 HE21 ' A' ' 78' ' ' GLN . 94.5 mt -68.5 -39.29 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.050000000000000003 110.908 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.221 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 75' ' ' VAL . 11.1 p . . . . . 0 N--CA 1.462 0.133 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.66 -46.73 80.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.644 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG1' HG21 ' A' ' 8' ' ' VAL . 54.6 t -62.54 -44.99 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.879 0.371 . . . . 0.0 110.554 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.644 ' CD2' HE21 ' A' ' 55' ' ' GLN . 31.8 mt -61.2 -40.18 92.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.012 0.434 . . . . 0.11 110.904 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 71' ' ' SER . 45.3 t -58.89 -47.01 90.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.816 -0.629 . . . . 0.38 110.225 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.88 -46.47 87.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.773 0.32 . . . . 0.0 110.309 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -62.75 -43.39 98.92 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.53 -0.305 . . . . 0.059999999999999998 110.641 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.502 HE21 HD11 ' A' ' 59' ' ' ILE . 85.6 mt-30 -61.82 -39.15 90.79 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.249 -0.432 . . . . 1.0900000000000001 110.201 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 83' ' ' THR . 38.6 tp -56.62 -46.56 80.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.33 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -67.07 -45.97 75.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.355 -0.384 . . . . 0.080000000000000002 110.685 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.03 -45.99 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.853 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.76 -42.02 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.227 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.2 p -64.41 -46.61 82.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.1 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 m -62.23 -48.75 78.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.99 -48.26 80.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.488 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.33 -45.02 96.18 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.06 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.78 83.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.844 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -58.55 -45.43 88.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.161 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.62 -43.66 98.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.093 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.47 -42.68 95.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 0.0 109.884 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.651 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.1 mt -60.17 -42.05 88.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.314 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.5 -46.08 84.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.962 0.41 . . . . 0.0 109.895 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.52 -43.84 97.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.599 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.4 mt -59.24 -43.62 92.38 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.17 -42.54 93.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.426 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.22 -39.96 92.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 109.759 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.43 -41.59 98.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.818 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.7 m80 -59.5 -40.25 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.27 -40.91 97.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.157 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.09 -38.31 90.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.177 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.365 179.664 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.736 ' O ' HG23 ' B' ' 8' ' ' VAL . 98.2 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.611 0.243 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.89 -47.06 79.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 1.9399999999999999 110.38 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.15 -37.28 83.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.116 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.488 HG11 HD11 ' B' ' 58' ' ' LEU . 72.0 t -63.53 -42.53 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 4' ' ' LEU . 93.5 t -60.49 -44.71 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.845 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.8 mtp -59.54 -42.45 92.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.55 -0.537 . . . . 0.17999999999999999 109.55 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.22 97.96 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 11' ' ' LEU . 36.7 mt -62.68 -42.46 99.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.813 0.34 . . . . 0.0 110.404 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.417 ' O ' ' OG ' ' B' ' 15' ' ' SER . 92.5 mt -63.07 -44.41 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.28999999999999998 109.708 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.37 -43.99 98.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.02 109.907 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.8 t-20 -60.11 -46.16 90.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.89 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 12' ' ' ILE . 78.1 p -59.34 -43.07 92.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.125 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.15 -41.84 99.61 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -63.51 -42.99 98.48 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.0 74.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.861 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.2 -46.42 89.8 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -55.03 -44.97 75.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.98 -42.91 99.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.683 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.631 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.25 -50.21 74.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.61 -42.15 91.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.671 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.34 92.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.754 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.66 83.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.669 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.53 -45.69 93.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.361 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.654 ' NZ ' ' NE2' ' B' ' 31' ' ' GLN . 66.1 tttm -55.57 -42.86 75.33 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.433 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.1 mt-30 -61.74 -41.57 97.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.833 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.43 93.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.724 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.86 -29.27 70.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.022 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.654 ' NE2' ' NZ ' ' B' ' 27' ' ' LYS . 88.5 mt-30 -79.59 -4.41 51.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.66 13.58 69.71 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -97.92 79.44 2.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 110.319 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -64.91 -35.02 79.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.608 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.08 80.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.763 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.433 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.69 -35.21 80.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.397 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.01 80.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.571 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.05 -42.55 99.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.569 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.52 99.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.44 -41.0 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 4.3 mmt -62.5 -41.43 98.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.538 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.98 -44.51 96.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.03 -41.53 99.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.245 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -60.91 -45.42 94.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.22 -42.52 98.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpp -60.72 -43.98 97.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.277 0.561 . . . . 0.0 110.649 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.33 99.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 48' ' ' LEU . 94.6 mt -65.76 -40.13 91.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.402 ' HA ' HD22 ' B' ' 49' ' ' ASN . 9.7 m120 -60.66 -42.16 96.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.332 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.34 -39.63 92.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.14 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.482 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.46 -43.41 81.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.464 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -62.54 -38.12 88.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.066 -0.515 . . . . 0.089999999999999997 110.326 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 53' ' ' LEU . 39.5 mt -61.18 -44.33 97.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.318 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.61 -43.33 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.074 0.464 . . . . 0.0 110.026 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.653 HE21 ' CD2' ' B' ' 74' ' ' LEU . 46.4 tp60 -60.04 -42.88 95.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.239 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 12.5 m -56.94 -43.26 81.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.059999999999999998 109.986 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.36 -40.87 95.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.924 0.392 . . . . 0.0 110.525 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.508 HD22 ' CD2' ' B' ' 4' ' ' LEU . 95.1 mt -67.6 -37.35 82.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.535 HD11 HE21 ' B' ' 78' ' ' GLN . 95.1 mt -68.51 -39.26 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.169 -0.469 . . . . 0.040000000000000001 110.745 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.529 -179.036 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 75' ' ' VAL . 19.3 p . . . . . 0 N--CA 1.461 0.093 0 CA-C-O 121.036 0.446 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.05 -46.23 88.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.492 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.474 ' CG1' HG21 ' B' ' 8' ' ' VAL . 54.5 t -62.0 -44.41 98.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.598 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.653 ' CD2' HE21 ' B' ' 55' ' ' GLN . 33.3 mt -61.43 -39.56 91.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.11 110.975 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 71' ' ' SER . 45.6 t -59.12 -47.32 90.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.775 -0.648 . . . . 0.38 110.295 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.664 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.4 t-80 -58.94 -46.18 88.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.86 -0.336 . . . . 1.1100000000000001 110.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.469 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -62.91 -43.0 99.98 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.864 0.364 . . . . 0.059999999999999998 110.399 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.535 HE21 HD11 ' B' ' 59' ' ' ILE . 85.8 mt-30 -62.41 -38.82 91.12 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.115 -0.493 . . . . 1.0900000000000001 110.267 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.492 ' O ' HG23 ' B' ' 83' ' ' THR . 39.9 tp -57.08 -46.43 82.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.401 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.664 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 86.9 m-70 -66.97 -45.83 76.49 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.787 -0.365 . . . . 0.080000000000000002 110.69 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.38 -45.98 92.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -61.49 -42.75 99.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.259 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.492 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.0 p -63.68 -46.63 84.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.18 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -62.07 -48.73 78.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -58.16 -48.13 81.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.444 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.38 -44.9 96.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.08 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.82 -47.81 83.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.862 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.4 -45.27 88.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.202 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.91 -43.59 98.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.183 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.48 -42.47 95.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.102 0.477 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.631 HD12 ' HB1' ' B' ' 22' ' ' ALA . 73.7 mt -60.27 -42.15 89.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.191 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.52 -45.85 84.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.072 0.463 . . . . 0.0 109.86 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -62.84 -43.68 98.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.473 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.572 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.4 mt -59.33 -43.15 92.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.87 -42.54 95.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.488 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.98 -40.28 92.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 97' ' ' LEU . 81.6 mt -62.2 -41.91 98.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.867 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -59.25 -40.27 85.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.23 -40.88 97.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.047 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.13 -38.31 90.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.201 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.391 179.544 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.751 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.6 mt . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.578 0.228 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.86 -47.02 79.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.857 0.361 . . . . 1.9399999999999999 110.343 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.13 -37.16 83.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.277 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.47 HG11 HD11 ' C' ' 58' ' ' LEU . 70.9 t -63.67 -42.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.751 HG23 ' O ' ' C' ' 4' ' ' LEU . 92.2 t -60.64 -44.64 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.925 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.2 mtp -59.73 -41.96 92.09 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.565 -0.531 . . . . 0.17999999999999999 109.565 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.3 -42.37 97.82 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' C' ' 11' ' ' LEU . 36.6 mt -62.71 -42.46 99.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.397 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.422 ' O ' ' OG ' ' C' ' 15' ' ' SER . 93.1 mt -63.01 -44.38 99.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.29999999999999999 109.677 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.36 -43.67 98.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.011 -0.54 . . . . 0.02 110.084 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.477 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 50.7 t-20 -60.74 -45.72 93.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.789 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' C' ' 12' ' ' ILE . 78.3 p -59.43 -43.31 93.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.123 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.26 99.71 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.23 -42.56 99.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.68 76.6 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -60.68 -46.17 91.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -55.26 -44.86 75.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.05 -42.66 99.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.686 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.647 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.56 -50.18 74.9 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.39 -42.29 91.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.492 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.28 92.25 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.71 84.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.593 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.38 -45.85 92.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.46 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . 0.668 ' NZ ' ' NE2' ' C' ' 31' ' ' GLN . 66.0 tttm -55.35 -43.29 74.88 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.437 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.5 mt-30 -61.53 -41.78 97.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.865 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.73 91.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.771 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.9 -29.01 69.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.091 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.668 ' NE2' ' NZ ' ' C' ' 27' ' ' LYS . 88.9 mt-30 -79.48 -4.79 52.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.09 13.47 68.83 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.9 79.11 2.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.71 0.29 . . . . 0.0 110.331 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -64.74 -35.12 80.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.532 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.82 81.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.011 0.434 . . . . 0.0 110.642 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . 0.437 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.79 -35.31 80.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.11 79.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.8 -42.8 99.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.72 99.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.38 -40.93 94.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.494 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.85 -40.93 98.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.651 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.4 -44.43 96.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.483 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.99 -41.77 99.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.262 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -60.63 -45.34 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.525 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.38 -42.36 98.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.297 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 9.1 tpp -60.92 -44.21 97.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.332 0.587 . . . . 0.0 110.541 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.84 99.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.318 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' C' ' 48' ' ' LEU . 94.5 mt -65.43 -40.01 92.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.769 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -61.16 -41.92 97.63 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.364 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.4 -39.72 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.008 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.477 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.1 -43.7 81.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.421 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.532 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 62.0 t-80 -62.36 -37.97 87.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.089999999999999997 110.336 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.54 -44.27 97.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.303 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.36 -43.37 94.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.033 0.444 . . . . 0.0 109.92 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.649 HE21 ' CD2' ' C' ' 74' ' ' LEU . 46.3 tp60 -60.11 -43.25 95.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.215 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.818 HG21 HG22 ' D' ' 356' ' ' THR . 11.1 m -56.5 -43.04 79.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.059999999999999998 110.197 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.86 -40.38 95.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.956 0.408 . . . . 0.0 110.512 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' C' ' 4' ' ' LEU . 95.4 mt -67.83 -36.99 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.785 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.533 HD11 HE21 ' C' ' 78' ' ' GLN . 96.5 mt -68.8 -39.33 79.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.971 -0.559 . . . . 0.059999999999999998 110.876 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.524 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.505 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 42.3 tp . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.663 0.268 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.415 ' CG1' HG21 ' C' ' 8' ' ' VAL . 55.0 t -63.15 -44.68 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 130.077 3.351 . . . . 0.0 110.558 -178.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.649 ' CD2' HE21 ' C' ' 55' ' ' GLN . 38.5 mt -63.24 -39.18 93.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.077 0.465 . . . . 0.11 111.087 177.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 45.7 t -59.83 -47.47 91.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.726 -0.67 . . . . 0.40000000000000002 110.221 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.649 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.4 t-80 -59.38 -46.1 89.6 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.893 -0.323 . . . . 1.02 110.292 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.47 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -62.7 -43.48 98.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.851 0.358 . . . . 0.059999999999999998 110.421 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.533 HE21 HD11 ' C' ' 59' ' ' ILE . 85.4 mt-30 -62.05 -38.97 90.75 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.17 -0.468 . . . . 1.0900000000000001 110.238 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' C' ' 83' ' ' THR . 38.3 tp -56.85 -46.51 81.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.493 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.649 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 87.1 m-70 -67.0 -45.91 76.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.415 . . . . 0.080000000000000002 110.764 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.11 -45.94 92.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.83 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.68 -42.21 98.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.373 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' C' ' 79' ' ' LEU . 23.0 p -64.27 -46.85 81.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.175 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.8 m -61.65 -48.92 78.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.92 -48.6 79.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.502 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.99 -45.18 95.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.171 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.4 -48.12 81.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.962 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.1 -45.69 86.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.216 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.27 -44.01 97.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.13 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.16 -42.87 96.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.185 0.517 . . . . 0.0 110.015 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.647 HD12 ' HB1' ' C' ' 22' ' ' ALA . 75.0 mt -60.04 -42.14 88.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.385 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.47 -45.9 84.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.067 0.46 . . . . 0.0 109.936 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.63 -44.19 96.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.497 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.3 mt -58.88 -43.37 90.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.283 0.563 . . . . 0.0 109.524 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.41 -43.09 96.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.574 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.22 -40.62 90.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.08 0.466 . . . . 0.0 109.796 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 97' ' ' LEU . 81.0 mt -61.93 -41.75 98.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.905 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.0 m80 -59.58 -40.18 86.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.744 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.21 -40.71 97.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.045 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.19 -38.32 90.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.69 -41.74 95.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.35 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -80.66 141.78 34.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.47 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.551 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 121.866 0.841 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.81 143.03 36.66 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.27 38.45 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.992 -1.067 . . . . 0.0 109.593 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.06 149.15 28.51 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.19 152.28 18.98 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.062 -1.024 . . . . 0.0 108.425 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.8 144.29 19.31 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.58 136.59 36.89 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.12 0.962 . . . . 0.0 110.142 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.32 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.91 -4.27 19.32 Favored 'General case' 0 C--N 1.266 -3.052 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.816 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.44 141.75 85.9 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.664 -1.897 . . . . 0.0 110.666 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.42 -47.67 12.73 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 124.732 3.621 . . . . 0.0 114.223 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.532 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 97.6 m-20 -102.1 27.46 6.61 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 116.058 -2.257 . . . . 0.0 108.842 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.44 -126.4 27.78 Favored Glycine 0 N--CA 1.496 2.646 0 C-N-CA 117.713 -2.184 . . . . 0.0 109.595 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.57 78.0 1.81 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.95 -1.324 . . . . 0.0 109.563 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -84.52 176.84 8.37 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 117.851 -1.54 . . . . 0.0 112.095 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 77.1 p -23.34 -69.95 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.24 2.311 . . . . 0.0 117.24 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -45.73 -65.58 0.64 Allowed Pre-proline 0 N--CA 1.492 1.654 0 C-N-CA 120.193 -0.603 . . . . 0.0 112.514 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.57 -32.25 59.0 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.591 1.527 . . . . 0.0 111.501 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.474 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.9 86.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.227 -0.92 . . . . 0.0 109.471 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.85 -39.77 72.73 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.99 -39.35 93.93 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.906 -1.517 . . . . 0.0 109.47 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.66 -45.39 93.03 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 122.627 1.203 . . . . 0.0 108.648 -177.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.474 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.1 t -62.57 -42.29 95.34 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.222 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.681 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -63.81 -40.33 96.37 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.24 -0.912 . . . . 0.0 109.842 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.68 80.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.477 -0.765 . . . . 0.0 109.641 177.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.96 91.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.63 -1.294 . . . . 0.0 109.466 178.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.31 -16.28 44.18 Favored 'General case' 0 N--CA 1.51 2.565 0 O-C-N 121.303 -0.873 . . . . 0.0 113.251 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.56 86.13 Favored Glycine 0 N--CA 1.479 1.566 0 O-C-N 119.919 -1.738 . . . . 0.0 109.278 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.36 32.82 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.192 -1.77 . . . . 0.0 110.022 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.7 p -75.61 -30.06 59.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.259 -0.9 . . . . 0.0 112.31 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.88 158.55 10.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 119.778 -1.826 . . . . 0.0 112.802 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.92 130.26 35.41 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 102.853 -3.017 . . . . 0.0 102.853 171.292 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.58 60.4 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.373 0 CA-C-O 122.197 0.999 . . . . 0.0 109.281 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.87 143.22 50.95 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 123.009 1.385 . . . . 0.0 110.058 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.13 129.94 61.52 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.738 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 173.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.4 m -127.43 119.48 26.24 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.757 -1.214 . . . . 0.0 109.043 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.45 122.55 39.23 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.528 -0.733 . . . . 0.0 109.933 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.89 24.23 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.841 -1.162 . . . . 0.0 112.761 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.74 11.0 83.47 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 119.985 -1.697 . . . . 0.0 112.455 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.81 136.33 54.51 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 177.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.89 158.53 33.28 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-O 123.826 1.774 . . . . 0.0 112.433 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.65 151.36 31.38 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 112.515 -2.129 . . . . 0.0 108.599 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.58 135.96 48.87 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 173.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.9 -6.8 47.6 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.727 -1.233 . . . . 0.0 110.744 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.51 12.97 31.58 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.703 -1.248 . . . . 0.0 109.4 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.9 t -133.1 104.11 6.36 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.134 0.968 . . . . 0.0 110.128 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.22 -37.86 72.9 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.948 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -58.88 -51.42 70.11 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.558 -1.339 . . . . 0.0 113.045 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.49 70.66 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 119.526 -1.984 . . . . 0.0 109.149 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.61 75.57 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 118.877 -1.129 . . . . 0.0 109.997 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.524 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.73 -10.4 52.2 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.676 -0.64 . . . . 0.0 109.96 -177.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 38.1 p -89.8 -7.72 53.74 Favored 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 118.167 -1.413 . . . . 0.0 110.945 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.4 159.36 15.28 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.137 -0.977 . . . . 0.0 110.126 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.73 104.9 2.97 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 106.857 -2.497 . . . . 0.0 106.857 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . 0.436 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.5 mt -119.63 47.39 1.72 Allowed 'General case' 0 C--N 1.308 -1.211 0 O-C-N 120.668 -1.489 . . . . 0.0 107.409 -178.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.818 HG22 HG21 ' C' ' 56' ' ' THR . 2.4 p -81.41 172.56 13.39 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.814 -1.155 . . . . 0.0 109.192 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.79 140.9 57.45 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 119.341 -0.943 . . . . 0.0 109.79 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.52 -3.28 78.72 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 119.949 -1.119 . . . . 0.0 111.363 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.4 135.94 34.07 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.909 -1.348 . . . . 0.0 110.615 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.58 123.69 48.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.14 160.13 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 C-N-CA 117.322 -1.751 . . . . 0.0 110.665 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.89 128.34 54.83 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.56 -1.337 . . . . 0.0 107.609 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.9 121.39 60.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.25 50.71 Favored 'General case' 0 C--N 1.286 -2.179 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.46 47.22 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 118.497 -1.281 . . . . 0.0 109.747 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.84 6.44 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 118.529 -1.268 . . . . 0.0 108.031 178.151 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.23 -170.32 40.15 Favored Glycine 0 C--N 1.295 -1.706 0 C-N-CA 118.055 -2.021 . . . . 0.0 110.383 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.34 -40.72 82.89 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-N 114.414 -0.893 . . . . 0.0 112.158 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -113.97 36.76 3.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 118.967 -2.333 . . . . 0.0 108.544 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.32 -33.64 65.78 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -174.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.464 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.84 -45.64 27.74 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.54 -1.975 . . . . 0.0 110.95 -176.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.833 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.78 97.85 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.58 77.35 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.514 -1.675 . . . . 0.0 110.042 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.86 -42.27 88.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 CA-C-O 122.171 0.986 . . . . 0.0 109.183 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.88 -47.84 76.65 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-O 122.029 0.919 . . . . 0.0 108.774 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.833 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.81 -38.3 76.56 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.69 -178.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.7 mt -75.65 -28.63 58.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.369 -1.457 . . . . 0.0 110.836 -174.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.49 -39.49 70.89 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.454 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.22 63.06 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.19 -45.21 83.95 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.061 -1.056 . . . . 0.0 110.569 177.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.44 -37.3 85.33 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.876 -1.14 . . . . 0.0 111.536 -177.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.97 -31.77 61.54 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.031 -1.043 . . . . 0.0 110.191 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.88 -32.33 45.81 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.52 -0.737 . . . . 0.0 111.317 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -49.98 125.45 12.07 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 124.266 1.984 . . . . 0.0 112.874 178.686 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.816 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.3 tt0 . . . . . 0 C--N 1.277 -2.569 0 CA-C-N 111.153 -2.748 . . . . 0.0 110.121 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 8' ' ' VAL . 93.6 mt . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -46.13 83.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.972 0.415 . . . . 1.9399999999999999 110.421 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -68.67 -34.79 76.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.246 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.73 -42.85 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.389 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.625 HG21 HG13 ' A' ' 73' ' ' VAL . 75.2 t -61.43 -43.5 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.944 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.96 -42.31 89.58 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.52 -0.548 . . . . 0.17999999999999999 109.52 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -41.67 97.65 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -43.03 99.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.245 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.95 -43.88 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.20000000000000001 109.781 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.455 HD11 ' HB1' ' D' ' 320' ' ' ALA . 88.5 mt -64.08 -44.4 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.01 109.948 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.512 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 47.5 t-20 -60.92 -47.01 88.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.74 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.0 m -59.35 -43.43 92.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.043 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.414 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -63.54 -42.12 98.98 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -64.3 -44.55 91.3 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.31 77.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.851 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -60.41 -46.97 88.1 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -54.49 -43.73 72.03 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.19 -42.28 99.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.705 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.78 -49.74 76.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -60.03 -42.3 94.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.538 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.3 93.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.745 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.58 85.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.64 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -45.37 94.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.442 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.47 -42.15 73.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.32 -41.48 97.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.771 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.71 94.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.787 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.49 -29.22 69.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.182 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.45 -4.67 54.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.489 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.71 14.67 69.75 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.34 79.34 2.52 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.737 0.303 . . . . 0.0 110.304 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -64.28 -34.64 78.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.699 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.5 -49.07 76.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.062 0.458 . . . . 0.0 110.753 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.21 80.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.366 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.04 80.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.27 -42.28 99.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.525 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.64 98.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mmm -65.35 -40.8 94.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.498 ' O ' ' OG ' ' A' ' 44' ' ' SER . 91.1 mmm -63.01 -41.12 99.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.681 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.73 -43.35 99.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.013 0.435 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.06 -40.52 97.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.167 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.498 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.94 -45.57 93.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.549 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 70.8 ttt180 -60.07 -42.44 94.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.32 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 89.5 mmm -61.55 -42.72 99.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.235 0.54 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.95 95.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.215 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.37 -39.86 92.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.624 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' A' ' 49' ' ' ASN . 9.0 m120 -61.14 -41.53 96.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.266 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.56 -39.65 91.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.186 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.512 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -68.09 -45.26 74.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.481 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.14 -39.44 90.06 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.089999999999999997 110.385 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.4 mt -60.26 -44.17 95.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.358 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.8 -43.32 93.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.062 0.458 . . . . 0.0 110.031 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' NE2' HD23 ' A' ' 74' ' ' LEU . 67.6 tp60 -59.74 -43.96 94.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.314 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -56.44 -42.71 78.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.059999999999999998 110.062 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.58 -40.37 91.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.399 . . . . 0.0 110.52 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.47 HD22 HD22 ' A' ' 4' ' ' LEU . 97.1 mt -65.53 -37.8 87.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.642 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.2 mt -73.54 -37.07 49.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.050000000000000003 110.851 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 -179.356 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.9 p . . . . . 0 C--O 1.226 -0.173 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.588 ' HG ' HD21 ' B' ' 72' ' ' LEU . 20.8 mt -58.06 -45.77 86.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.625 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.625 HG13 HG21 ' A' ' 8' ' ' VAL . 76.4 t -64.89 -47.53 87.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.856 0.36 . . . . 0.0 110.503 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.404 HD23 ' NE2' ' A' ' 55' ' ' GLN . 87.6 mt -64.07 -43.02 96.7 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.027 0.441 . . . . 0.11 110.936 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 71' ' ' SER . 55.6 t -59.96 -46.85 93.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.802 -0.636 . . . . 0.38 110.167 -179.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.18 -46.32 90.11 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.272 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.41 96.34 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.772 0.32 . . . . 0.059999999999999998 110.658 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.04 -38.81 90.15 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.222 -0.444 . . . . 1.0900000000000001 110.175 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 83' ' ' THR . 42.8 tp -55.98 -46.82 78.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.378 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -67.24 -45.93 75.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.337 -0.392 . . . . 0.080000000000000002 110.74 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.22 -46.23 91.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.813 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.91 -43.08 99.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.176 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.3 p -63.78 -45.92 87.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.098 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.4 t -62.88 -48.94 76.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.458 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.673 ' CE ' HH12 ' B' ' 19' ' ' ARG . 51.6 ttp -57.92 -47.67 82.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.591 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.61 -44.71 96.49 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.088 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.51 -48.14 80.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.403 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 70.1 ttt-85 -58.85 -45.3 90.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.123 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 85' ' ' MET . 1.2 mp0 -60.69 -44.13 96.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.085 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.26 -42.58 96.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.192 0.52 . . . . 0.0 109.889 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 77.0 mt -59.93 -41.47 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.208 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.479 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 99.0 m -57.2 -45.93 83.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.066 0.46 . . . . 0.0 109.906 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.62 -43.49 96.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.612 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.7 mt -59.68 -43.98 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.37 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.54 -43.04 96.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.518 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.38 -40.16 89.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 97' ' ' LEU . 84.2 mt -62.74 -42.23 99.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.886 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.567 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -59.65 -40.34 87.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.49 -40.63 97.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.139 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.58 -38.69 91.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.32 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.439 179.717 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.579 ' O ' HG23 ' B' ' 8' ' ' VAL . 94.0 mt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.596 0.236 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.0 -46.18 82.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.946 0.403 . . . . 1.9399999999999999 110.32 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -68.61 -34.72 76.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.211 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.1 t -63.99 -42.67 96.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.382 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.614 HG21 HG13 ' B' ' 73' ' ' VAL . 76.4 t -61.63 -43.23 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.933 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.12 -42.3 90.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.577 -0.527 . . . . 0.17999999999999999 109.577 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.01 -41.39 97.3 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.154 -1.179 . . . . 0.0 110.154 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.93 -42.94 99.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.01 -44.04 99.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.997 -0.547 . . . . 0.28999999999999998 109.693 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.93 -44.5 97.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.963 -0.562 . . . . 0.02 109.885 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 47.6 t-20 -60.9 -46.8 89.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.86 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.7 m -59.37 -43.53 92.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.109 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -42.03 99.13 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -64.39 -44.58 90.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.27 77.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.925 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.673 HH12 ' CE ' ' A' ' 85' ' ' MET . 73.1 ttt180 -60.5 -46.98 88.15 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.5 m -54.57 -43.46 72.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.32 -42.4 98.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.706 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -59.86 -49.83 76.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.86 -42.5 93.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.639 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.55 92.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.68 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -42.72 85.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.599 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.23 -45.62 93.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.286 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.42 -41.99 73.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.4 -41.41 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.872 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.83 94.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.78 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.46 -29.3 69.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.031 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.51 -4.46 53.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.373 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.42 14.67 70.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -98.16 79.46 2.58 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.755 0.312 . . . . 0.0 110.36 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -64.65 -34.55 78.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.567 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.96 77.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 0.0 110.762 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.16 -34.88 79.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.391 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.16 79.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.14 -42.65 99.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.549 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.61 99.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.697 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.66 -40.7 92.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.479 ' O ' ' OG ' ' B' ' 44' ' ' SER . 91.0 mmm -63.18 -41.02 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.554 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -62.84 -43.29 99.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -63.03 -40.74 98.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.247 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.1 p -61.69 -45.49 93.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.473 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -60.38 -42.22 95.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.323 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.57 -43.01 99.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.312 0.577 . . . . 0.0 110.647 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.02 95.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.166 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.19 -40.1 93.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.716 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -61.0 -41.72 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.285 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.37 -39.71 92.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.153 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.505 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.91 -45.72 73.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.482 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -60.56 -39.6 88.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.089999999999999997 110.28 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 53' ' ' LEU . 39.5 mt -60.3 -44.28 95.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.326 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.66 -43.57 93.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.016 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.403 ' NE2' HD23 ' B' ' 74' ' ' LEU . 67.3 tp60 -59.5 -44.09 93.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.313 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.9 m -56.18 -43.01 78.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.059999999999999998 110.026 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.68 -39.89 90.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.94 0.4 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' B' ' 4' ' ' LEU . 98.7 mt -65.86 -38.02 87.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.16 -37.07 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.038 -0.528 . . . . 0.040000000000000001 110.764 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.554 -179.323 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.579 ' O ' HG23 ' B' ' 75' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 121.012 0.434 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.616 ' HG ' HD21 ' C' ' 72' ' ' LEU . 20.8 mt -60.16 -45.47 92.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.557 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.614 HG13 HG21 ' B' ' 8' ' ' VAL . 73.2 t -63.99 -47.01 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.612 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.403 HD23 ' NE2' ' B' ' 55' ' ' GLN . 87.6 mt -64.53 -42.35 95.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.096 0.474 . . . . 0.11 110.957 -178.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 71' ' ' SER . 55.5 t -60.3 -46.92 94.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.835 -0.62 . . . . 0.38 110.314 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -60.13 -46.59 89.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.883 -0.327 . . . . 1.1100000000000001 110.287 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.22 94.19 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.907 0.384 . . . . 0.059999999999999998 110.384 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.18 -39.04 88.66 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.2 -0.455 . . . . 1.0900000000000001 110.272 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 83' ' ' THR . 42.3 tp -55.96 -46.75 78.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.341 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -67.21 -46.0 75.16 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.8 -0.36 . . . . 0.080000000000000002 110.669 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.06 -46.33 91.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.909 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.93 -43.02 99.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.299 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.481 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.8 p -63.7 -45.98 87.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.152 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 37.7 t -62.39 -49.48 75.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.683 ' CE ' HH12 ' C' ' 19' ' ' ARG . 53.2 ttp -57.32 -48.14 79.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.494 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.33 -44.74 96.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.105 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.24 80.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -58.71 -44.94 90.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.482 ' OE1' ' O ' ' B' ' 85' ' ' MET . 1.2 mp0 -61.02 -44.16 97.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.162 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.26 -42.36 96.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 110.036 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.635 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 77.7 mt -59.9 -41.57 86.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.195 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.471 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 98.2 m -57.3 -45.68 83.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.07 0.462 . . . . 0.0 109.879 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.61 -43.9 95.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.485 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 87.5 mt -59.22 -44.43 92.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.38 -42.84 95.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.49 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.41 -40.66 91.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.3 -42.16 99.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.835 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.5 m80 -59.75 -40.52 88.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -62.38 -40.6 96.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.118 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.71 -38.7 91.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.165 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.5 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.386 179.852 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.586 ' O ' HG23 ' C' ' 8' ' ' VAL . 93.4 mt . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.716 0.293 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.29 -46.02 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 1.9399999999999999 110.405 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.61 -34.41 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.349 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.11 -42.89 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.588 HG21 HG13 ' C' ' 73' ' ' VAL . 78.8 t -61.4 -43.2 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.997 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -59.4 -41.69 90.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.567 -0.531 . . . . 0.17999999999999999 109.567 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.23 -41.83 96.63 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.69 -42.9 99.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.421 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.86 -43.98 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.29999999999999999 109.713 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.1 -44.49 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 0.02 110.071 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.511 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 47.2 t-20 -60.79 -46.62 89.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.789 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 m -59.76 -43.56 94.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.223 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.36 -42.12 99.24 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.159 -1.177 . . . . 0.0 110.159 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -64.14 -45.0 90.41 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.56 -49.66 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.683 HH12 ' CE ' ' B' ' 85' ' ' MET . 73.7 ttt180 -60.0 -47.31 86.34 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -54.27 -43.62 71.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.29 -42.6 99.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.692 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.625 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.32 -49.98 75.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.91 -42.38 93.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.485 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.19 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.728 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.71 86.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.631 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.28 -45.41 94.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.478 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.76 -41.98 74.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.577 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.34 -41.39 96.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.898 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -42.65 93.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.773 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.69 -29.12 69.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.047 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.44 -4.81 55.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.45 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.8 14.7 69.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -98.32 79.44 2.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.73 0.3 . . . . 0.0 110.256 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -64.71 -34.5 78.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.585 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.87 77.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.962 0.41 . . . . 0.0 110.622 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.23 80.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.381 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.76 -48.3 79.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.451 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.12 -42.58 99.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.583 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.8 99.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.756 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.9 mmm -65.55 -40.67 93.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 0.0 110.588 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.495 ' O ' ' OG ' ' C' ' 44' ' ' SER . 91.4 mmm -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.613 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.61 -43.52 98.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.402 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.96 -40.54 97.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.495 ' OG ' ' O ' ' C' ' 41' ' ' MET . 80.3 p -61.86 -45.47 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.34 -42.03 94.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.399 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 89.0 mmm -61.91 -42.65 99.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.382 0.61 . . . . 0.0 110.521 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.21 95.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.351 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.15 -40.04 93.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.781 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.06 -41.35 96.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.359 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.44 -40.26 93.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.095 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.511 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.64 -45.26 75.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.41 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.73 ' CD2' HD22 ' D' ' 312' ' ' ASN . 84.2 t60 -60.96 -39.6 90.14 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.02 -0.537 . . . . 0.089999999999999997 110.342 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.47 -44.08 96.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.311 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.76 -43.52 93.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.922 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.411 ' NE2' HD23 ' C' ' 74' ' ' LEU . 67.2 tp60 -59.45 -44.33 92.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.259 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.975 HG21 HG22 ' D' ' 356' ' ' THR . 19.4 m -56.25 -42.8 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.386 . . . . 0.059999999999999998 110.108 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.81 -39.73 90.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.359 . . . . 0.0 110.49 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' C' ' 4' ' ' LEU . 98.7 mt -65.72 -38.1 88.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.772 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.14 -37.31 52.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.047 -0.524 . . . . 0.059999999999999998 110.82 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.552 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.8 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.462 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.616 HD21 ' HG ' ' B' ' 72' ' ' LEU . 14.3 mt . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.604 0.24 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.588 HG13 HG21 ' C' ' 8' ' ' VAL . 67.8 t -65.58 -47.33 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 130.066 3.346 . . . . 0.0 110.64 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.411 HD23 ' NE2' ' C' ' 55' ' ' GLN . 89.0 mt -66.67 -42.05 87.16 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.193 -0.458 . . . . 0.11 110.969 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.76 -47.31 93.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.778 -0.647 . . . . 0.40000000000000002 110.272 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -60.11 -46.74 88.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.868 -0.333 . . . . 1.02 110.304 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -45.18 94.38 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.916 0.389 . . . . 0.059999999999999998 110.413 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -61.13 -39.06 88.61 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.201 -0.454 . . . . 1.0900000000000001 110.281 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.473 ' O ' HG23 ' C' ' 83' ' ' THR . 41.4 tp -55.76 -46.85 77.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -67.32 -45.5 76.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.31 -0.405 . . . . 0.080000000000000002 110.701 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.68 -46.05 91.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.875 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.85 -43.15 99.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.332 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.473 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.6 p -63.89 -45.39 89.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.162 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 38.6 t -63.28 -48.79 76.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . 0.495 ' O ' ' OE1' ' C' ' 89' ' ' GLU . 53.5 ttp -57.9 -47.97 81.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.527 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.48 -44.69 96.64 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.63 78.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.016 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -58.42 -45.17 88.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.224 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' C' ' 85' ' ' MET . 1.2 mp0 -60.73 -44.29 96.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.126 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.39 -42.39 96.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.23 0.538 . . . . 0.0 110.029 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.625 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 76.2 mt -59.78 -41.63 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.374 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.485 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 97.8 m -57.18 -45.63 83.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.08 0.467 . . . . 0.0 109.981 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.71 -43.61 96.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.48 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.7 mt -59.6 -44.12 93.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.45 -43.08 96.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.531 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.9 -40.9 90.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.722 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.04 -42.74 99.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.91 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.9 m80 -59.27 -40.62 86.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.735 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.5 tt0 -62.3 -40.85 97.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.068 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.34 -38.66 91.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.229 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.33 -42.36 96.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.339 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.7 mttp -91.32 141.81 28.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.361 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.461 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.535 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.695 0 CA-C-O 121.846 0.831 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.1 t80 -139.77 142.99 36.71 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.92 156.33 38.71 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.0 -1.063 . . . . 0.0 109.548 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.2 149.19 28.46 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.33 18.93 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.047 -1.033 . . . . 0.0 108.395 178.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.89 144.31 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.73 136.57 37.07 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.162 0.982 . . . . 0.0 110.122 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.88 114.31 24.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.85 -4.32 19.37 Favored 'General case' 0 C--N 1.264 -3.134 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.815 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.82 85.75 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 119.726 -1.859 . . . . 0.0 110.654 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.49 -47.69 12.83 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 124.802 3.668 . . . . 0.0 114.141 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.73 HD22 ' CD2' ' C' ' 52' ' ' HIS . 10.6 m120 -102.17 27.61 6.53 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 116.043 -2.263 . . . . 0.0 108.745 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' D' ' 310' ' ' ALA . . . 71.5 -95.18 0.6 Allowed Glycine 0 N--CA 1.497 2.732 0 C-N-CA 117.685 -2.198 . . . . 0.0 109.55 -175.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.524 ' CD1' ' O ' ' D' ' 314' ' ' LEU . 0.8 OUTLIER -170.0 57.2 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.865 -1.374 . . . . 0.0 109.521 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.457 ' O ' ' O ' ' D' ' 314' ' ' LEU . 0.4 OUTLIER -52.05 -174.89 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 117.877 -1.529 . . . . 0.0 112.13 -178.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 12.3 p -28.84 -66.78 0.08 Allowed 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -176.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' D' ' 316' ' ' THR . 37.9 ttt-85 -42.67 -66.97 0.37 Allowed Pre-proline 0 N--CA 1.493 1.718 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.495 -177.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.37 -32.17 61.24 Favored 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.568 1.512 . . . . 0.0 111.534 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.478 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.02 -38.87 86.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.254 -0.903 . . . . 0.0 109.451 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.85 -39.73 72.75 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.97 -39.37 93.97 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 118.024 -1.471 . . . . 0.0 109.503 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.67 -45.34 93.23 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 122.593 1.187 . . . . 0.0 108.705 -177.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.478 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.6 t -62.63 -42.24 95.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.276 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.726 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.404 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 60.0 mttm -63.83 -40.24 96.12 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.323 -0.861 . . . . 0.0 109.811 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.528 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.75 80.0 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.473 -0.767 . . . . 0.0 109.578 177.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.04 91.76 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.575 -1.328 . . . . 0.0 109.426 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.23 -16.29 43.56 Favored 'General case' 0 N--CA 1.511 2.577 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.51 86.1 Favored Glycine 0 N--CA 1.479 1.543 0 O-C-N 119.905 -1.747 . . . . 0.0 109.318 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.25 32.97 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.242 -1.74 . . . . 0.0 110.013 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.53 -30.17 59.68 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.193 -0.942 . . . . 0.0 112.285 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.66 158.52 9.97 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 119.742 -1.849 . . . . 0.0 112.81 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.19 35.3 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 102.85 -3.018 . . . . 0.0 102.85 171.224 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.67 136.61 60.31 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 CA-C-O 122.185 0.993 . . . . 0.0 109.325 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.96 143.17 51.02 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 123.137 1.446 . . . . 0.0 109.991 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.2 t -108.01 129.99 61.26 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 N-CA-C 105.507 -2.034 . . . . 0.0 105.507 173.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.52 119.6 26.41 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.838 -1.164 . . . . 0.0 108.927 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.57 122.57 39.18 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.921 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.86 38.86 24.53 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.899 -1.126 . . . . 0.0 112.762 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 11.02 83.55 Favored Glycine 0 N--CA 1.503 3.106 0 O-C-N 119.95 -1.719 . . . . 0.0 112.534 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.27 54.54 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.79 158.57 33.02 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-O 123.802 1.763 . . . . 0.0 112.448 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.4 31.39 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.442 -2.163 . . . . 0.0 108.581 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.61 136.08 48.91 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.07 -6.76 47.7 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 120.751 -1.218 . . . . 0.0 110.691 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.48 12.9 31.76 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.59 -1.319 . . . . 0.0 109.406 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.0 t -133.01 104.19 6.42 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.158 0.98 . . . . 0.0 110.106 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.22 -37.89 72.92 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.007 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -58.92 -51.3 70.65 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.549 -1.345 . . . . 0.0 113.05 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.45 70.48 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.588 -1.945 . . . . 0.0 109.199 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 mt -62.72 -33.81 75.87 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.965 -1.094 . . . . 0.0 109.902 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.552 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.72 -10.32 51.49 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.636 -0.665 . . . . 0.0 109.973 -177.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.3 p -89.84 -7.69 53.73 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 118.052 -1.459 . . . . 0.0 110.961 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.33 159.36 15.3 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.248 -0.907 . . . . 0.0 110.197 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.82 2.97 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 106.897 -2.481 . . . . 0.0 106.897 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' D' ' 361' ' ' VAL . 78.1 mt -119.59 47.44 1.71 Allowed 'General case' 0 C--N 1.309 -1.18 0 O-C-N 120.726 -1.456 . . . . 0.0 107.431 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.975 HG22 HG21 ' C' ' 56' ' ' THR . 5.0 p -81.49 172.48 13.46 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.196 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.62 140.91 57.23 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.851 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.22 79.01 Favored Glycine 0 N--CA 1.5 2.931 0 C-N-CA 120.029 -1.082 . . . . 0.0 111.35 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.45 135.95 34.05 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.917 -1.343 . . . . 0.0 110.601 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.3 t -96.49 123.72 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.3 m -112.22 160.11 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 117.328 -1.749 . . . . 0.0 110.578 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.3 m -108.89 128.38 54.87 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.536 -1.352 . . . . 0.0 107.646 175.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.83 121.36 60.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 176.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.21 50.7 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.63 153.4 47.32 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.828 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.85 6.44 Favored 'General case' 0 C--N 1.288 -2.093 0 C-N-CA 118.561 -1.255 . . . . 0.0 107.994 178.173 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.37 40.14 Favored Glycine 0 C--N 1.296 -1.658 0 C-N-CA 117.955 -2.069 . . . . 0.0 110.362 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.29 -40.7 82.62 Favored 'General case' 0 C--N 1.274 -2.675 0 CA-C-N 114.381 -0.909 . . . . 0.0 112.16 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.7 3.57 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 115.864 -2.334 . . . . 0.0 108.59 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.45 65.71 Favored 'General case' 0 N--CA 1.522 3.138 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -174.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.472 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.69 26.86 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 119.619 -1.925 . . . . 0.0 110.926 -176.59 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.81 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.47 -40.77 98.01 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 106.978 -1.489 . . . . 0.0 106.978 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.55 77.45 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 117.478 -1.689 . . . . 0.0 110.054 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.84 -42.15 88.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-O 122.172 0.987 . . . . 0.0 109.295 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.89 -47.93 76.52 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-O 122.097 0.951 . . . . 0.0 108.708 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.81 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.85 -38.27 76.41 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.684 -178.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.437 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.69 -28.57 58.7 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.331 -1.481 . . . . 0.0 110.839 -174.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.52 71.08 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.22 63.04 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.528 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.24 -45.26 84.09 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 119.044 -1.062 . . . . 0.0 110.485 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.34 -37.38 85.44 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.924 -1.11 . . . . 0.0 111.558 -177.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.66 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.132 -0.98 . . . . 0.0 110.275 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.88 -32.24 45.82 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.575 -0.703 . . . . 0.0 111.354 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.14 125.5 12.44 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 124.302 2.001 . . . . 0.0 112.843 178.705 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.815 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.4 mm-40 . . . . . 0 C--N 1.277 -2.557 0 CA-C-N 111.055 -2.793 . . . . 0.0 110.15 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.5 mt . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.36 -46.33 80.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.919 0.39 . . . . 1.9399999999999999 110.276 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -67.72 -37.08 81.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.276 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.5 -42.3 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.427 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 4' ' ' LEU . 73.0 t -60.49 -44.34 96.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.912 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.7 mtp -58.94 -42.42 89.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.514 -0.55 . . . . 0.17999999999999999 109.514 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.21 -41.98 98.11 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.2 -43.33 98.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.14 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.16 -44.43 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.20000000000000001 109.733 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.75 -43.93 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.01 109.955 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -61.49 -46.28 90.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.786 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -61.05 -43.56 98.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.951 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.578 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -64.02 -44.82 95.34 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.134 -1.187 . . . . 0.0 110.134 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -63.51 -44.25 94.86 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.1 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.868 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.52 -46.74 87.98 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.8 m -55.13 -44.74 75.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.72 -42.81 97.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.724 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.539 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.21 -51.37 70.27 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.52 -41.29 89.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.587 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.85 89.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.775 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.69 88.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.671 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.12 -45.1 96.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.477 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.56 -42.34 74.53 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.74 -40.9 94.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.823 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.45 94.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.689 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.6 -28.7 69.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.187 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.9 -4.67 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.447 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.51 59.93 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -102.32 77.93 1.7 Allowed 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.75 0.31 . . . . 0.0 110.246 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CE1' ' OE1' ' A' ' 99' ' ' GLU . 91.7 m-85 -65.21 -33.79 76.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.652 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.02 -48.34 79.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.115 0.483 . . . . 0.0 110.745 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.31 80.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.369 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.25 77.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.606 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.21 -43.83 98.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.63 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.65 98.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.821 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.1 mtt -65.4 -40.3 93.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.455 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.454 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 89.3 mmm -63.62 -41.4 98.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.59 -45.24 93.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.032 0.444 . . . . 0.0 110.555 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.9 -41.5 97.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.247 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 m -61.4 -45.37 94.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' HA ' HH11 ' A' ' 88' ' ' ARG . 70.9 ttt180 -60.82 -42.74 98.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.306 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.77 -44.22 97.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.209 0.528 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.616 HD21 ' OG ' ' A' ' 84' ' ' SER . 11.9 mt -66.0 -39.97 90.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.758 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.16 -42.71 95.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.267 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.74 -39.26 93.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.198 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -44.25 77.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.462 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -62.08 -38.83 90.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.089999999999999997 110.363 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.6 mt -60.65 -44.23 96.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.347 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.16 -43.3 95.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 0.0 110.013 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -60.13 -43.34 95.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.221 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.6 m -57.03 -42.84 81.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.059999999999999998 109.979 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.6 -39.41 93.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.956 0.408 . . . . 0.0 110.56 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.531 HD22 ' CD2' ' A' ' 4' ' ' LEU . 97.8 mt -62.97 -28.28 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.687 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -89.87 -31.17 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.050000000000000003 110.8 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.601 179.875 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.522 -0.12 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.06 -42.02 84.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.596 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.617 HG13 HG21 ' A' ' 8' ' ' VAL . 67.1 t -64.4 -46.53 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.896 0.379 . . . . 0.0 110.551 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.09 -42.42 96.94 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.996 0.427 . . . . 0.11 110.879 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.93 -47.08 93.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.793 -0.64 . . . . 0.38 110.233 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -60.15 -45.26 93.67 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.29 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.81 89.87 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.772 0.32 . . . . 0.059999999999999998 110.6 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -61.97 -39.91 93.78 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 116.179 -0.464 . . . . 1.0900000000000001 110.17 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.718 HD21 ' SD ' ' C' ' 82' ' ' MET . 40.8 tp -56.22 -46.54 79.48 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.375 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -67.68 -46.17 73.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.296 -0.411 . . . . 0.080000000000000002 110.723 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.06 -46.56 88.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.782 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.5 ' SD ' HD21 ' B' ' 79' ' ' LEU . 80.7 mtp -61.07 -43.91 98.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.195 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.7 p -61.27 -44.45 97.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.109 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.616 ' OG ' HD21 ' A' ' 48' ' ' LEU . 45.0 t -62.76 -47.75 82.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.452 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.21 -48.11 79.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.449 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.04 -44.15 97.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.924 0.392 . . . . 0.0 110.16 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -46.2 89.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.819 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.424 HH11 ' HA ' ' A' ' 45' ' ' ARG . 55.2 ttp180 -58.48 -46.69 86.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.141 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.74 -43.56 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.017 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.55 -43.38 94.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.197 0.522 . . . . 0.0 109.96 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.539 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 77.6 mt -61.04 -42.92 94.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.318 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.454 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 20.0 m -57.03 -46.11 82.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.433 . . . . 0.0 109.85 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.545 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.4 mt-10 -63.38 -42.66 98.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.537 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.2 mt -60.05 -42.78 95.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.57 -42.79 92.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.552 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.572 ' OE1' ' NZ ' ' B' ' 30' ' ' LYS . 85.2 tt0 -63.24 -37.62 87.95 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.8 mt -63.38 -41.45 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.901 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -60.4 -39.3 86.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.563 ' OE1' ' CE1' ' A' ' 34' ' ' PHE . 50.7 tp10 -59.56 -39.16 83.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.167 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.02 -35.38 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.189 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.406 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.7 mt . . . . . 0 CA--C 1.521 -0.173 0 CA-C-O 120.587 0.232 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.32 -46.44 80.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 1.9399999999999999 110.292 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -67.6 -36.98 81.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.18 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.412 HG11 HD11 ' B' ' 58' ' ' LEU . 79.6 t -63.53 -42.58 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 4' ' ' LEU . 69.2 t -60.31 -44.29 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.873 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.7 mtp -59.19 -42.08 90.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.561 -0.533 . . . . 0.17999999999999999 109.561 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.52 -41.84 97.75 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.4 -43.02 98.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.737 0.303 . . . . 0.0 110.302 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.64 -44.23 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.28999999999999998 109.672 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.67 -44.15 98.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.02 109.921 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -61.22 -46.24 91.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.808 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -61.31 -43.59 98.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.109 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.87 -44.48 96.05 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -63.79 -44.49 93.21 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.13 74.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.955 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.35 -46.68 87.94 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -55.29 -44.59 75.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.87 -42.94 97.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.664 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.537 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -59.07 -51.37 70.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.4 -41.35 89.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.701 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.4 89.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.782 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.47 86.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.619 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.67 -44.84 96.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.327 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.87 -42.0 75.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.75 -41.25 95.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.857 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.59 93.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.673 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' OE1' ' A' ' 96' ' ' GLU . 68.0 mttm -61.51 -28.96 69.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.047 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -81.79 -4.77 57.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.98 17.31 59.68 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -102.43 77.62 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 0.0 110.257 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.57 ' CE1' ' OE1' ' B' ' 99' ' ' GLU . 91.9 m-85 -64.92 -34.05 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.77 77.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.012 0.434 . . . . 0.0 110.766 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.21 80.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.455 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.19 77.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.502 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.48 -43.86 98.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.556 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.03 97.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.17 -40.49 94.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.448 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 89.8 mmm -63.45 -41.55 98.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.584 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.44 -45.4 93.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.481 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.81 -41.18 97.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.293 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -61.95 -45.24 94.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.491 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.427 ' HA ' HH11 ' B' ' 88' ' ' ARG . 70.3 ttt180 -60.72 -42.8 97.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.247 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 66.2 ttp -60.63 -44.35 96.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.312 0.577 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.41 98.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.129 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.609 HD21 ' OG ' ' B' ' 84' ' ' SER . 11.8 mt -65.91 -39.97 91.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.745 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.22 -42.72 95.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.38 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.55 -39.38 93.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.191 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.37 78.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.462 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -62.2 -38.68 90.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.089999999999999997 110.253 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.82 -44.05 97.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.398 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.23 -43.32 95.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.958 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.07 -43.52 95.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 99.6 m -56.98 -42.8 80.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.059999999999999998 109.991 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -39.24 93.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.535 HD22 ' CD2' ' B' ' 4' ' ' LEU . 97.4 mt -63.12 -28.11 69.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.739 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -89.71 -31.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 0.040000000000000001 110.721 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 -179.768 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.402 ' O ' HG23 ' B' ' 75' ' ' VAL . 19.1 p . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 121.115 0.483 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.42 -41.62 94.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.626 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.61 HG13 HG21 ' B' ' 8' ' ' VAL . 60.5 t -63.47 -45.46 97.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.608 -178.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.98 -41.67 95.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.11 110.962 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 71' ' ' SER . 53.7 t -60.2 -47.27 92.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.843 -0.617 . . . . 0.38 110.296 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' HIS . . . . . 0.456 ' CE1' ' CD2' ' B' ' 80' ' ' HIS . 59.2 t-80 -59.92 -45.76 91.55 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.838 -0.345 . . . . 1.1100000000000001 110.325 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.89 92.02 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.895 0.378 . . . . 0.059999999999999998 110.41 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -62.24 -40.45 96.21 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.12 -0.491 . . . . 1.0900000000000001 110.271 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.528 ' O ' HG23 ' B' ' 83' ' ' THR . 40.7 tp -55.61 -46.55 77.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.336 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.456 ' CD2' ' CE1' ' B' ' 76' ' ' HIS . 74.6 m-70 -67.69 -46.4 72.39 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.763 -0.375 . . . . 0.080000000000000002 110.705 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.77 -46.78 88.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.797 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . 0.484 ' SD ' HD21 ' C' ' 79' ' ' LEU . 80.4 mtp -60.91 -44.03 97.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.227 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.528 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.1 p -61.16 -44.11 97.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.152 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.609 ' OG ' HD21 ' B' ' 48' ' ' LEU . 43.8 t -63.15 -47.33 83.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.645 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.6 -47.92 80.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.522 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.02 -44.25 97.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 110.111 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.54 88.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.9 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' B' ' 45' ' ' ARG . 55.1 ttp180 -58.22 -47.1 84.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.208 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.25 -43.43 98.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.177 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.75 -43.33 93.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.135 0.493 . . . . 0.0 110.057 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.537 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 76.7 mt -60.96 -42.84 94.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.174 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.448 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 19.5 m -57.28 -46.13 83.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.072 0.463 . . . . 0.0 109.842 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.2 mt-10 -63.19 -43.02 99.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.513 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.545 HD13 ' OE1' ' A' ' 93' ' ' GLU . 77.0 mt -59.58 -43.05 93.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.45 -43.12 93.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.494 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' C' ' 30' ' ' LYS . 84.9 tt0 -62.78 -38.16 89.52 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' B' ' 97' ' ' LEU . 34.5 mt -62.86 -41.72 99.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.769 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -60.08 -39.69 86.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.57 ' OE1' ' CE1' ' B' ' 34' ' ' PHE . 50.9 tp10 -59.34 -39.11 82.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.088 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.14 -35.32 80.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.141 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.386 179.754 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.67 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.5 mt . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.617 0.246 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.45 -46.31 80.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 1.9399999999999999 110.376 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -67.68 -37.27 82.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.342 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.403 HG11 HD11 ' C' ' 58' ' ' LEU . 79.1 t -62.89 -42.92 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.67 HG23 ' O ' ' C' ' 4' ' ' LEU . 69.5 t -60.02 -44.35 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.019 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -59.34 -41.62 89.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.608 -0.515 . . . . 0.17999999999999999 109.608 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -42.18 97.42 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.88 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.325 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.08 -44.55 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.29999999999999999 109.75 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.66 -43.95 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.969 -0.56 . . . . 0.02 110.08 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -61.44 -45.85 92.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.798 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -61.61 -43.7 98.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.139 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.87 -44.27 96.36 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.79 -43.97 94.77 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.91 75.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.765 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -59.84 -46.44 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -55.43 -44.6 76.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.71 -43.09 97.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.723 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.54 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.01 -51.4 70.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.41 -41.6 89.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.562 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.28 88.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 -42.66 86.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.567 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.32 -45.21 95.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.392 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.52 -42.37 74.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.88 -40.66 93.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.937 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.6 94.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.783 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' B' ' 96' ' ' GLU . 68.0 mttm -61.75 -28.95 69.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.074 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -81.32 -4.95 57.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.517 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.85 17.5 59.61 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -102.3 78.17 1.72 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.725 0.298 . . . . 0.0 110.211 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.564 ' CE1' ' OE1' ' C' ' 99' ' ' GLU . 91.1 m-85 -65.58 -33.84 76.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.509 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.22 79.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.042 0.449 . . . . 0.0 110.744 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.38 80.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.36 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.19 -48.06 77.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.473 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.41 -43.71 98.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.617 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.96 97.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.776 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.5 mtt -65.06 -40.38 94.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.465 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 89.8 mmm -63.72 -41.44 98.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.66 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.45 -45.42 93.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.368 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.0 -40.89 97.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.3 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 63.4 m -61.86 -45.49 93.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.427 ' HA ' HH11 ' C' ' 88' ' ' ARG . 70.6 ttt180 -60.57 -42.91 97.59 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.32 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.69 -44.09 96.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.308 0.575 . . . . 0.0 110.527 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.02 97.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.304 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.612 HD21 ' OG ' ' C' ' 84' ' ' SER . 11.8 mt -65.66 -39.87 91.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.34 -42.69 96.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.269 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.49 -39.57 94.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.004 0.43 . . . . 0.0 110.004 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -44.39 77.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.421 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -61.82 -38.76 89.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.089999999999999997 110.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 53' ' ' LEU . 43.5 mt -61.22 -43.59 98.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.314 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.64 -43.03 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.922 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -60.21 -43.7 95.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.233 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 1.027 HG21 HG22 ' D' ' 356' ' ' THR . 99.1 m -56.96 -42.84 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.059999999999999998 110.174 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.58 -39.1 92.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 110.506 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.529 HD22 ' CD2' ' C' ' 4' ' ' LEU . 97.6 mt -62.95 -28.36 70.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.811 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -89.7 -31.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.977 -0.556 . . . . 0.059999999999999998 110.831 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.539 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.505 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 72' ' ' LEU . 74.9 mt . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.635 0.255 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.56 HG13 HG21 ' C' ' 8' ' ' VAL . 59.3 t -64.29 -46.35 93.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 130.153 3.381 . . . . 0.0 110.627 -178.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.52 -41.72 88.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.222 -0.444 . . . . 0.11 111.004 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.11 -48.09 89.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.821 -0.627 . . . . 0.40000000000000002 110.255 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' HIS . . . . . 0.446 ' CE1' ' CD2' ' C' ' 80' ' ' HIS . 59.1 t-80 -59.74 -45.55 91.86 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.914 -0.314 . . . . 1.02 110.268 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.58 91.41 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.934 0.397 . . . . 0.059999999999999998 110.412 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -62.4 -39.79 94.4 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.243 -0.435 . . . . 1.0900000000000001 110.244 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.526 ' O ' HG23 ' C' ' 83' ' ' THR . 40.6 tp -56.26 -46.67 79.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.426 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.446 ' CD2' ' CE1' ' C' ' 76' ' ' HIS . 74.7 m-70 -67.63 -46.34 72.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.325 -0.398 . . . . 0.080000000000000002 110.64 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.81 -46.57 88.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.796 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . 0.718 ' SD ' HD21 ' A' ' 79' ' ' LEU . 80.1 mtp -61.15 -43.63 98.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.526 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.2 p -61.58 -43.94 97.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.192 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . 0.612 ' OG ' HD21 ' C' ' 48' ' ' LEU . 40.5 t -63.31 -47.36 82.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -57.39 -48.09 79.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.504 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.14 -44.32 97.52 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.148 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.62 87.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.01 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' C' ' 45' ' ' ARG . 55.3 ttp180 -58.02 -47.47 82.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.248 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.8 -43.64 97.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.156 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.69 -43.67 92.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.158 0.504 . . . . 0.0 109.98 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.54 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 76.8 mt -60.52 -42.86 92.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.423 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.465 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 19.4 m -57.32 -45.95 83.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.024 0.44 . . . . 0.0 109.963 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.47 -42.96 98.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.521 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' B' ' 93' ' ' GLU . 75.8 mt -59.44 -43.02 93.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.4 -43.37 93.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.588 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.42 -38.19 88.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.713 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.79 -41.86 99.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.879 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -59.82 -39.75 86.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.711 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . 0.564 ' OE1' ' CE1' ' C' ' 34' ' ' PHE . 50.6 tp10 -59.5 -39.15 82.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.094 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.97 -35.2 79.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.245 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 88.9 mt -81.88 -3.15 53.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 57.26 24.97 10.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.564 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.66 0 CA-C-O 121.908 0.861 . . . . 0.0 108.944 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.74 143.04 36.8 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.31 38.51 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.96 -1.088 . . . . 0.0 109.537 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.18 28.52 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.4 18.89 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.999 -1.063 . . . . 0.0 108.396 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.89 144.35 19.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.7 136.61 36.98 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.126 0.965 . . . . 0.0 110.116 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.97 114.33 24.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.92 -4.28 19.31 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.821 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.87 85.85 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.644 -1.91 . . . . 0.0 110.579 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.51 -47.69 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 124.812 3.674 . . . . 0.0 114.137 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -102.18 27.62 6.52 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 116.039 -2.265 . . . . 0.0 108.775 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.82 -123.11 21.44 Favored Glycine 0 N--CA 1.496 2.681 0 C-N-CA 117.638 -2.22 . . . . 0.0 109.63 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.16 80.94 1.91 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.914 -1.345 . . . . 0.0 109.485 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.409 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.3 OUTLIER -88.06 175.61 7.67 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 117.88 -1.528 . . . . 0.0 112.071 -179.353 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 11.4 p -22.04 -66.51 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.578 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 9.3 ttt-85 -48.52 -65.68 0.73 Allowed Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 120.139 -0.625 . . . . 0.0 112.493 -177.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.8 Cg_endo -64.78 -32.21 56.66 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 121.26 1.306 . . . . 0.0 111.513 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.507 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.8 86.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.233 -0.917 . . . . 0.0 109.518 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.82 72.58 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -63.93 -39.45 94.19 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.026 -1.47 . . . . 0.0 109.441 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.62 -45.39 93.06 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.627 1.203 . . . . 0.0 108.7 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.507 HG23 ' O ' ' D' ' 319' ' ' ALA . 62.7 t -62.54 -42.37 95.6 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.32 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.609 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -63.75 -40.41 96.64 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.247 -0.908 . . . . 0.0 109.796 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.68 -39.77 80.42 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.464 -0.773 . . . . 0.0 109.597 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.99 -44.09 91.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.655 -1.278 . . . . 0.0 109.392 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.25 -16.27 43.62 Favored 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.63 86.03 Favored Glycine 0 N--CA 1.478 1.491 0 O-C-N 119.939 -1.726 . . . . 0.0 109.338 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.45 143.35 32.82 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.262 -1.728 . . . . 0.0 110.046 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.6 p -75.53 -30.07 59.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.178 -0.951 . . . . 0.0 112.394 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.73 158.6 10.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 119.855 -1.778 . . . . 0.0 112.761 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.27 35.34 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 102.782 -3.044 . . . . 0.0 102.782 171.263 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.68 60.11 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 CA-C-O 122.253 1.025 . . . . 0.0 109.289 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.96 143.18 51.02 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-O 123.089 1.423 . . . . 0.0 109.98 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.13 129.97 61.47 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.691 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 173.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.2 m -127.46 119.56 26.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.927 -1.108 . . . . 0.0 108.935 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.63 39.34 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.926 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.67 38.98 24.22 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.857 -1.152 . . . . 0.0 112.798 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 11.09 83.5 Favored Glycine 0 N--CA 1.503 3.123 0 O-C-N 119.91 -1.744 . . . . 0.0 112.5 177.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.3 54.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.76 158.52 33.1 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-O 123.781 1.753 . . . . 0.0 112.432 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.39 31.41 Favored 'General case' 0 C--N 1.279 -2.5 0 CA-C-N 112.539 -2.119 . . . . 0.0 108.621 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.61 135.92 48.79 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.91 -6.81 47.65 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.658 -1.277 . . . . 0.0 110.731 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.5 12.97 31.55 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.698 -1.251 . . . . 0.0 109.408 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.9 t -133.08 104.18 6.39 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 122.232 1.015 . . . . 0.0 110.193 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.5 tp -57.26 -37.88 73.01 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.952 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -58.95 -51.3 70.64 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.566 -1.334 . . . . 0.0 113.057 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.47 70.66 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 119.542 -1.974 . . . . 0.0 109.205 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.85 -33.8 76.01 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.896 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.539 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.1 tp60 -67.57 -10.48 52.24 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.634 -0.666 . . . . 0.0 109.929 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 30.9 p -89.81 -7.65 53.87 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 118.124 -1.43 . . . . 0.0 110.931 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.8 mt -93.4 159.29 15.32 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.208 -0.932 . . . . 0.0 110.152 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.86 2.97 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 106.916 -2.474 . . . . 0.0 106.916 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.58 47.42 1.71 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.668 -1.489 . . . . 0.0 107.387 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 1.027 HG22 HG21 ' C' ' 56' ' ' THR . 2.0 p -81.42 172.5 13.46 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.222 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.68 140.92 57.3 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.893 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.38 -3.16 79.13 Favored Glycine 0 N--CA 1.501 2.99 0 C-N-CA 120.031 -1.081 . . . . 0.0 111.351 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.43 135.88 34.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.88 -1.365 . . . . 0.0 110.593 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.47 123.75 48.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 106.355 -1.721 . . . . 0.0 106.355 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.23 160.0 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 C-N-CA 117.427 -1.709 . . . . 0.0 110.631 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.87 128.44 54.91 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.598 -1.314 . . . . 0.0 107.592 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.88 121.37 60.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.31 50.71 Favored 'General case' 0 C--N 1.285 -2.223 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 -179.548 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.5 47.2 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.67 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.77 6.4 Favored 'General case' 0 C--N 1.288 -2.07 0 C-N-CA 118.567 -1.253 . . . . 0.0 108.015 178.16 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.37 40.16 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 118.074 -2.013 . . . . 0.0 110.372 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.24 -40.7 82.41 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.418 -0.891 . . . . 0.0 112.224 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 115.897 -2.321 . . . . 0.0 108.583 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -33.58 65.77 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 -174.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.442 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.97 -45.6 26.97 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.593 -1.942 . . . . 0.0 110.925 -176.486 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.75 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.7 97.72 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.49 77.66 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 117.462 -1.695 . . . . 0.0 110.006 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.81 -42.21 88.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-O 122.185 0.993 . . . . 0.0 109.29 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.88 -47.94 76.48 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 122.037 0.922 . . . . 0.0 108.743 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.75 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.74 -38.38 76.82 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.696 -178.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.6 -28.6 58.96 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.389 -1.444 . . . . 0.0 110.9 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.58 71.27 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.39 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.8 -49.28 63.22 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.3 -45.17 84.44 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.004 -1.078 . . . . 0.0 110.52 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.39 85.51 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.93 -1.106 . . . . 0.0 111.508 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.85 61.61 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.059 -1.025 . . . . 0.0 110.21 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.81 -32.34 46.26 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.496 -0.753 . . . . 0.0 111.369 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.09 125.48 12.32 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 124.288 1.994 . . . . 0.0 112.859 178.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.821 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.565 0 CA-C-N 111.139 -2.755 . . . . 0.0 110.184 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.52 139.86 58.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.4 mt-10 -60.4 134.85 57.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.468 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 8' ' ' VAL . 62.7 mt -38.39 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.422 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.87 -47.13 78.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.963 0.411 . . . . 1.9399999999999999 110.285 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.9 tt0 -67.53 -35.51 79.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.266 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.12 -43.11 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 4' ' ' LEU . 77.7 t -60.82 -44.35 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.906 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.14 -42.56 90.96 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.509 -0.552 . . . . 0.17999999999999999 109.509 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.88 97.38 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' A' ' 55' ' ' GLN . 39.0 mt -62.94 -42.69 99.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.391 . . . . 0.0 110.202 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.02 -44.27 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.20000000000000001 109.763 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.51 HD11 ' HB1' ' D' ' 320' ' ' ALA . 86.9 mt -63.54 -43.99 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.01 110.02 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 1.3 t30 -61.01 -46.43 90.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.771 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -59.93 -44.67 94.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.963 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -62.01 -41.93 99.7 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.44 -44.08 95.56 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.64 -48.85 78.32 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.853 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.89 -45.93 92.64 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -55.42 -43.77 75.64 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.22 -41.99 98.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.721 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.19 -48.92 77.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.49 -41.35 89.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.617 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.33 89.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.775 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.36 90.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.671 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.23 -45.63 93.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.369 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.692 ' NZ ' ' NE2' ' A' ' 31' ' ' GLN . 66.4 tttm -55.08 -43.17 73.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.42 -41.95 90.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.763 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.4 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.684 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.19 -30.04 70.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.149 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.692 ' NE2' ' NZ ' ' A' ' 27' ' ' LYS . 88.3 mt-30 -82.98 -4.46 58.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.435 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.51 17.72 67.94 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -99.78 79.52 2.24 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.792 0.33 . . . . 0.0 110.301 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.6 -33.87 76.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.664 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.97 81.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.027 0.442 . . . . 0.0 110.763 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.1 79.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.351 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.92 81.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.578 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -61.1 -43.02 99.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.597 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.6 99.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.758 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.1 mtt -65.72 -41.96 91.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.469 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.437 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.3 mtm -64.14 -41.35 97.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.667 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.41 -45.45 93.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.491 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.86 -40.76 97.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.5 m -61.22 -45.45 94.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.517 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -61.11 -42.38 98.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.267 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.71 -43.54 97.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.197 0.522 . . . . 0.0 110.611 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.89 99.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.24 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.97 -39.86 94.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.58 -42.2 98.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.24 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.04 -40.54 91.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.215 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.39 -43.76 80.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.445 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.66 -38.16 89.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.089999999999999997 110.387 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.09 -44.18 97.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.313 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.4 -43.19 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.04 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.568 ' NE2' ' HB1' ' A' ' 77' ' ' ALA . 11.8 tp-100 -60.27 -42.94 96.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.226 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -57.08 -42.6 81.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.059999999999999998 110.062 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -62.19 -38.52 89.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.985 0.422 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.96 -30.11 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.67 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.657 HD11 HE21 ' A' ' 78' ' ' GLN . 84.6 mt -83.7 -32.98 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.049 -0.523 . . . . 0.050000000000000003 110.885 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -85.23 -7.06 59.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.69 116.86 0.75 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 63' ' ' ALA . 68.2 t0 -158.25 -121.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.56 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.538 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . -65.87 147.39 53.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.496 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.92 -81.37 1.35 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -63.24 128.86 37.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.898 0.38 . . . . 0.0 110.689 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.8 29.42 74.72 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -53.64 123.37 12.03 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.738 0.304 . . . . 0.0 110.42 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -103.89 136.76 42.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.653 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' NZ ' ' OE1' ' B' ' 5' ' ' GLU . 53.0 mtmt -62.89 -44.92 94.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' B' ' 76' ' ' HIS . 21.9 t -106.56 126.57 62.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.676 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.562 ' O ' HG23 ' A' ' 75' ' ' VAL . 9.3 p -128.1 161.2 29.78 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.4 mt -57.41 -45.89 84.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.613 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.602 HG13 HG21 ' A' ' 8' ' ' VAL . 74.7 t -64.19 -47.39 90.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.913 0.387 . . . . 0.0 110.598 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' CG1' ' A' ' 59' ' ' ILE . 90.3 mt -63.81 -41.81 97.82 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 116.204 -0.453 . . . . 0.11 110.886 -178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 71' ' ' SER . 55.4 t -59.87 -47.7 90.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.766 -0.652 . . . . 0.38 110.201 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -58.99 -46.26 88.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.832 0.349 . . . . 0.0 110.355 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.568 ' HB1' ' NE2' ' A' ' 55' ' ' GLN . . . -64.42 -44.06 92.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.434 -0.348 . . . . 0.059999999999999998 110.634 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.657 HE21 HD11 ' A' ' 59' ' ' ILE . 84.6 mt-30 -61.99 -40.1 94.47 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.256 -0.429 . . . . 1.0900000000000001 110.2 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.649 HD21 ' SD ' ' C' ' 82' ' ' MET . 46.1 tp -56.99 -46.47 82.22 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.374 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.611 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 77.7 m-70 -67.79 -46.7 71.21 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.679 -0.408 . . . . 0.080000000000000002 110.734 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.7 -46.13 91.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.839 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.55 ' SD ' HD21 ' B' ' 79' ' ' LEU . 80.1 mtp -63.43 -42.9 98.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.212 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.2 p -64.41 -48.39 75.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.09 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.45 -49.11 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.465 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 tpp -57.67 -47.78 81.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.592 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.9 -44.75 96.15 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.027 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -48.16 82.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.9 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -58.44 -45.39 88.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.12 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.1 mt-10 -61.33 -43.66 98.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.042 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.23 -42.77 96.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.156 0.503 . . . . 0.0 109.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.553 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.1 mt -60.43 -42.49 91.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.278 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.0 m -57.53 -46.02 84.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.057 0.456 . . . . 0.0 109.904 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.516 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.5 mt-10 -63.35 -43.2 98.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.594 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.32 -42.84 92.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.368 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.437 HD12 ' SD ' ' A' ' 41' ' ' MET . 89.3 mt -61.62 -42.72 95.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.482 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.508 ' HG2' ' HZ3' ' A' ' 100' ' ' LYS . 84.6 tt0 -60.96 -39.22 88.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.508 HD21 ' NE2' ' B' ' 98' ' ' HIS . 79.9 mt -62.28 -42.27 99.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.91 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -59.33 -39.59 83.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 103' ' ' ALA . 83.9 tt0 -60.73 -41.93 96.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.175 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.508 ' HZ3' ' HG2' ' A' ' 96' ' ' GLU . 61.0 mttp -64.58 -37.72 88.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.186 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt -64.78 -41.48 95.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.421 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -92.23 -5.92 51.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.496 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.97 139.64 58.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.1 mt-10 -60.3 135.01 57.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.426 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.641 ' O ' HG23 ' B' ' 8' ' ' VAL . 61.9 mt -38.56 -36.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.504 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.492 ' OE1' ' NZ ' ' A' ' 69' ' ' LYS . 79.2 mm-40 -64.93 -46.97 79.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.931 0.396 . . . . 1.9399999999999999 110.396 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.3 tt0 -67.69 -35.5 78.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.215 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.06 -43.24 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 4' ' ' LEU . 81.1 t -60.91 -44.3 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.889 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.12 -42.24 90.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.506 -0.553 . . . . 0.17999999999999999 109.506 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.32 -41.51 96.59 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' B' ' 55' ' ' GLN . 39.6 mt -63.13 -42.27 99.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.828 0.347 . . . . 0.0 110.363 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.57 -44.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 0.28999999999999998 109.657 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.24 -44.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.991 -0.55 . . . . 0.02 109.939 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 1.4 t30 -60.77 -46.75 89.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.772 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 12.0 t -59.36 -44.66 92.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.191 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.35 -42.09 99.72 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.15 -43.55 98.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.08 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.845 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.53 -45.66 93.0 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -55.75 -43.61 76.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.21 -42.22 99.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.652 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.573 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.23 -48.73 78.09 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.413 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.0 m-85 -59.45 -41.36 89.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.669 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.12 90.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.697 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.32 90.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.6 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.55 -45.19 95.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.319 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.686 ' NZ ' ' NE2' ' B' ' 31' ' ' GLN . 66.4 tttm -55.59 -43.0 75.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -59.75 -41.46 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.869 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.49 91.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.776 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.18 -30.15 70.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.044 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.686 ' NE2' ' NZ ' ' B' ' 27' ' ' LYS . 88.3 mt-30 -82.82 -4.75 58.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.77 18.06 66.55 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -100.01 78.98 2.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.32 . . . . 0.0 110.326 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -64.49 -33.71 76.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.543 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.33 80.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.02 79.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.418 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.1 80.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.512 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -60.89 -43.32 98.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.524 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.95 99.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.737 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 60.8 mtt -65.47 -42.15 92.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.425 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.2 mtm -63.75 -41.77 97.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.63 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.26 -45.37 93.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.446 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.66 -41.2 98.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.31 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.8 m -60.8 -45.9 92.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.479 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -60.68 -42.27 96.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.358 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.77 -43.8 97.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.345 0.593 . . . . 0.0 110.671 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.95 99.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.115 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.408 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 13.9 mt -64.92 -39.62 93.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.75 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.85 -42.06 98.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.322 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.06 -40.67 91.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.209 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.428 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.12 -44.11 80.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.418 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.51 -38.17 88.88 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.089999999999999997 110.261 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.04 -43.96 98.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.32 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.63 -43.2 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.119 0.485 . . . . 0.0 110.003 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.602 ' NE2' ' HB1' ' B' ' 77' ' ' ALA . 11.7 tp-100 -60.45 -42.67 96.6 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.256 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -57.58 -42.37 83.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.059999999999999998 109.964 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -62.09 -38.91 90.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 0.0 110.531 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 58' ' ' LEU . 97.9 mt -65.45 -30.45 71.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.747 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.647 HD11 HE21 ' B' ' 78' ' ' GLN . 83.6 mt -83.4 -33.0 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.035 -0.529 . . . . 0.040000000000000001 110.771 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -85.44 -6.75 59.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.8 116.6 0.74 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' B' ' 63' ' ' ALA . 68.1 t0 -158.41 -121.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.513 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.522 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . -65.73 147.13 53.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.472 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.82 -81.39 1.34 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -63.15 128.52 36.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.31 29.59 75.45 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.97 123.8 13.62 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.628 0.252 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -104.41 136.85 43.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.692 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.424 ' NZ ' ' OE1' ' C' ' 5' ' ' GLU . 52.6 mtmt -63.06 -44.62 95.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' C' ' 76' ' ' HIS . 18.7 t -107.38 126.07 63.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.778 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.608 ' O ' HG23 ' B' ' 75' ' ' VAL . 12.6 p -127.3 163.7 23.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.572 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.42 -45.57 93.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.569 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.587 HG13 HG21 ' B' ' 8' ' ' VAL . 71.4 t -63.38 -46.54 95.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.617 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.47 HD22 ' CG1' ' B' ' 59' ' ' ILE . 90.0 mt -64.32 -41.42 96.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.11 110.97 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 71' ' ' SER . 54.6 t -60.09 -47.33 92.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.768 -0.651 . . . . 0.38 110.249 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.64 ' CE1' ' HE2' ' B' ' 80' ' ' HIS . 58.7 t-80 -59.5 -46.16 89.63 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.866 -0.334 . . . . 1.1100000000000001 110.297 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.602 ' HB1' ' NE2' ' B' ' 55' ' ' GLN . . . -64.09 -44.21 93.02 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.942 0.401 . . . . 0.059999999999999998 110.457 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.647 HE21 HD11 ' B' ' 59' ' ' ILE . 85.0 mt-30 -62.15 -40.42 95.91 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 116.141 -0.482 . . . . 1.0900000000000001 110.194 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.55 HD21 ' SD ' ' A' ' 82' ' ' MET . 44.2 tp -56.67 -46.49 81.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.389 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.64 ' HE2' ' CE1' ' B' ' 76' ' ' HIS . 77.8 m-70 -68.12 -46.18 71.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.387 -0.37 . . . . 0.080000000000000002 110.688 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.23 -46.21 91.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.849 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.528 ' SD ' HD21 ' C' ' 79' ' ' LEU . 80.1 mtp -63.19 -43.01 99.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.254 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.3 p -64.36 -48.3 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.25 -49.01 78.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.612 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpp -57.82 -48.01 80.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.469 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.63 -44.6 96.69 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.143 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.81 84.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.933 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.408 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 73.0 ttp85 -58.37 -45.56 88.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.186 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.9 mt-10 -61.37 -43.66 98.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.17 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.09 -42.67 96.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 110.018 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.573 HD12 ' HB1' ' B' ' 22' ' ' ALA . 80.5 mt -60.64 -42.32 91.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 86.1 m -57.77 -45.62 85.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.069 0.462 . . . . 0.0 109.86 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.521 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.6 mt-10 -63.8 -42.97 97.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.519 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.516 HD13 ' OE1' ' A' ' 93' ' ' GLU . 76.0 mt -59.48 -43.12 93.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.425 HD12 ' SD ' ' B' ' 41' ' ' MET . 88.5 mt -61.34 -42.92 95.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.489 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.511 ' HG2' ' HZ3' ' B' ' 100' ' ' LYS . 84.0 tt0 -60.58 -39.61 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.731 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.517 HD21 ' NE2' ' C' ' 98' ' ' HIS . 80.4 mt -62.12 -41.98 98.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.876 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.508 ' NE2' HD21 ' A' ' 97' ' ' LEU . 51.9 m170 -59.5 -39.52 84.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.759 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' B' ' 103' ' ' ALA . 83.6 tt0 -60.92 -41.95 97.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.076 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . 0.511 ' HZ3' ' HG2' ' B' ' 96' ' ' GLU . 61.0 mttp -64.62 -37.52 87.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.83 -41.57 95.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.387 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -92.26 -6.26 50.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.61 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.559 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.97 140.1 58.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.6 mt-10 -60.67 135.13 57.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.35 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.662 ' O ' HG23 ' C' ' 8' ' ' VAL . 63.0 mt -38.52 -36.9 0.27 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.415 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . 0.424 ' OE1' ' NZ ' ' B' ' 69' ' ' LYS . 79.2 mm-40 -64.87 -47.13 79.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 1.9399999999999999 110.361 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.5 tt0 -67.4 -35.48 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.36 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.16 -42.96 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.337 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.662 HG23 ' O ' ' C' ' 4' ' ' LEU . 82.9 t -60.91 -44.27 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.032 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.7 mtp -59.26 -42.29 90.8 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.616 -0.513 . . . . 0.17999999999999999 109.616 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -41.74 97.1 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' C' ' 55' ' ' GLN . 38.6 mt -63.0 -42.88 99.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.342 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.0 -44.13 99.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.29999999999999999 109.727 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.38 -43.95 98.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.049 -0.523 . . . . 0.02 110.033 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 1.3 t30 -61.19 -46.3 91.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.791 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.93 -44.55 94.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.126 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.41 -42.2 99.72 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.94 -43.84 97.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -49.3 77.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.748 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.64 -45.46 93.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 67.1 m -55.64 -44.21 76.92 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.74 -42.19 98.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.784 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.24 -48.88 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.425 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.3 m-85 -59.52 -41.23 89.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.537 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.38 90.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.71 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.12 91.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.581 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.56 -45.13 95.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.371 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . 0.681 ' NZ ' ' NE2' ' C' ' 31' ' ' GLN . 66.4 tttm -55.68 -42.67 75.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -60.11 -40.99 91.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.92 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.86 92.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.805 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.92 -30.26 70.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.049 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.681 ' NE2' ' NZ ' ' C' ' 27' ' ' LYS . 88.3 mt-30 -82.52 -5.07 58.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.475 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.06 18.15 65.66 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.17 79.27 2.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.722 0.296 . . . . 0.0 110.318 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -64.79 -33.74 76.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.558 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.24 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.986 0.422 . . . . 0.0 110.617 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.37 -34.78 79.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.07 80.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.541 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -60.95 -43.33 98.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.601 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.26 99.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.39 -42.06 93.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.429 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.8 mtm -63.86 -41.78 97.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.638 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.36 -45.48 92.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.415 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.57 -40.85 98.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.288 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -61.18 -45.52 94.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.531 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -61.26 -41.77 97.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.319 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -61.06 -43.83 98.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.343 0.592 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.99 99.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.367 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.401 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 13.6 mt -64.97 -39.47 93.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.731 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -62.27 -41.72 98.72 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.35 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.22 -40.77 90.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.95 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.432 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.31 -43.84 80.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.421 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.592 ' CD2' ' OD1' ' D' ' 312' ' ' ASN . 84.3 t60 -62.66 -38.26 89.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.089999999999999997 110.282 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 53' ' ' LEU . 37.8 mt -61.09 -43.93 98.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.357 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.55 -43.25 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.963 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.609 ' NE2' ' HB1' ' C' ' 77' ' ' ALA . 11.7 tp-100 -60.26 -43.05 96.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.27 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.845 HG21 HG22 ' D' ' 356' ' ' THR . 18.6 m -57.2 -42.46 81.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.059999999999999998 110.147 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -62.21 -38.4 89.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.916 0.388 . . . . 0.0 110.513 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.407 HD22 HD22 ' C' ' 4' ' ' LEU . 97.9 mt -65.79 -30.35 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.77 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.635 HD11 HE21 ' C' ' 78' ' ' GLN . 82.8 mt -83.5 -32.94 9.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.942 -0.572 . . . . 0.059999999999999998 110.88 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 80.1 mm-40 -85.4 -6.77 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.428 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.7 116.52 0.73 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.537 ' CG ' ' H ' ' C' ' 63' ' ' ALA . 68.3 t0 -158.48 -121.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 110.422 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.537 ' H ' ' CG ' ' C' ' 62' ' ' ASP . . . -65.73 146.96 54.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.468 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.71 -80.94 1.34 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -63.53 128.47 35.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 0.0 110.601 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.39 29.33 74.77 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -53.44 123.62 12.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 110.534 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -104.46 136.83 43.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.59 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -63.02 -44.61 95.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 t -107.1 125.8 63.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.786 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.616 ' O ' HG23 ' C' ' 75' ' ' VAL . 13.4 p -126.31 165.71 18.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.503 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.88 -44.65 96.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.705 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.583 HG13 HG21 ' C' ' 8' ' ' VAL . 65.0 t -64.81 -47.21 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 130.213 3.405 . . . . 0.0 110.606 -178.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.472 HD22 ' CG1' ' C' ' 59' ' ' ILE . 94.1 mt -66.07 -41.42 90.77 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.075 0.464 . . . . 0.11 111.017 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.616 HG23 ' O ' ' C' ' 71' ' ' SER . 54.5 t -60.16 -48.05 89.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.78 -0.645 . . . . 0.40000000000000002 110.231 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.543 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 58.6 t-80 -58.91 -46.69 87.3 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.867 -0.333 . . . . 1.02 110.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.609 ' HB1' ' NE2' ' C' ' 55' ' ' GLN . . . -64.03 -43.85 94.32 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.059999999999999998 110.427 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.635 HE21 HD11 ' C' ' 59' ' ' ILE . 84.9 mt-30 -62.24 -40.31 95.72 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.308 -0.405 . . . . 1.0900000000000001 110.235 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.528 HD21 ' SD ' ' B' ' 82' ' ' MET . 45.9 tp -57.1 -46.12 82.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.487 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.543 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 78.0 m-70 -68.28 -46.27 70.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.3 -0.409 . . . . 0.080000000000000002 110.662 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.09 -46.13 91.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.884 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . 0.649 ' SD ' HD21 ' A' ' 79' ' ' LEU . 81.3 mtp -63.43 -42.87 98.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.307 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.509 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -64.35 -48.39 75.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.125 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.2 -49.22 78.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.558 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpp -57.52 -47.94 80.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.709 0.29 . . . . 0.0 110.557 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.7 -44.8 96.25 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.187 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.87 83.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.401 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 73.0 ttp85 -58.5 -45.65 88.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.198 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.96 -43.7 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.194 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.24 -43.03 96.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.134 0.492 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.563 HD12 ' HB1' ' C' ' 22' ' ' ALA . 79.2 mt -60.24 -42.14 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.387 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 88.5 m -57.96 -45.48 86.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.068 0.461 . . . . 0.0 109.972 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.93 -42.82 97.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.504 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.521 HD13 ' OE1' ' B' ' 93' ' ' GLU . 77.0 mt -59.48 -43.01 93.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.429 HD12 ' SD ' ' C' ' 41' ' ' MET . 88.7 mt -61.48 -42.79 95.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.636 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . 0.449 ' HG2' ' HZ3' ' C' ' 100' ' ' LYS . 84.2 tt0 -60.49 -39.9 89.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.83 -42.4 98.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.832 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.517 ' NE2' HD21 ' B' ' 97' ' ' LEU . 52.6 m170 -59.23 -39.7 83.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' C' ' 103' ' ' ALA . 83.4 tt0 -60.66 -42.17 96.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.094 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . 0.449 ' HZ3' ' HG2' ' C' ' 96' ' ' GLU . 61.0 mttp -64.4 -37.52 87.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.147 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -64.91 -41.58 95.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.35 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.31 -6.59 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 121.877 0.846 . . . . 0.0 108.95 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.72 143.06 36.84 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.06 156.31 38.5 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.984 -1.072 . . . . 0.0 109.554 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.16 149.11 28.41 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.39 18.85 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.976 -1.077 . . . . 0.0 108.41 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.84 144.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.69 136.62 36.96 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 122.142 0.973 . . . . 0.0 110.142 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -85.0 114.29 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.84 -4.29 19.42 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.62 141.77 85.48 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.629 -1.919 . . . . 0.0 110.609 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.46 -47.64 12.85 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.769 3.646 . . . . 0.0 114.156 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.592 ' OD1' ' CD2' ' C' ' 52' ' ' HIS . 99.9 m-20 -102.1 27.47 6.6 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 116.131 -2.228 . . . . 0.0 108.842 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.56 -130.03 31.18 Favored Glycine 0 N--CA 1.497 2.708 0 C-N-CA 117.734 -2.174 . . . . 0.0 109.571 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.68 77.42 1.59 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.003 -1.292 . . . . 0.0 109.51 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.06 175.04 9.79 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 117.867 -1.533 . . . . 0.0 112.153 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.539 ' OG1' ' O2 ' ' D' ' 200' ' ' PO3 . 65.5 p -22.98 -69.99 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 117.257 2.318 . . . . 0.0 117.257 -176.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.432 ' HE ' ' HA3' ' A' ' 16' ' ' GLY . 33.5 ttt-85 -44.8 -65.47 0.62 Allowed Pre-proline 0 N--CA 1.494 1.727 0 C-N-CA 120.141 -0.624 . . . . 0.0 112.553 -177.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.49 -32.21 59.87 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 C-N-CA 121.865 1.71 . . . . 0.0 111.473 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.473 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.97 -38.88 86.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.153 -0.967 . . . . 0.0 109.485 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.51 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.9 -39.73 72.59 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.9 -39.39 94.08 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.975 -1.49 . . . . 0.0 109.551 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.36 93.17 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.573 1.178 . . . . 0.0 108.686 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.3 t -62.69 -42.17 95.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.654 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.447 ' HZ1' HD12 ' A' ' 13' ' ' ILE . 92.1 mttt -63.96 -40.24 95.97 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.282 -0.886 . . . . 0.0 109.762 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.71 -39.67 80.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.448 -0.782 . . . . 0.0 109.62 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.96 92.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.571 -1.331 . . . . 0.0 109.395 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.29 -16.31 44.3 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 121.281 -0.887 . . . . 0.0 113.303 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.54 86.09 Favored Glycine 0 N--CA 1.477 1.431 0 O-C-N 119.913 -1.742 . . . . 0.0 109.337 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.49 143.38 32.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.24 -1.741 . . . . 0.0 110.018 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.57 -30.06 59.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.243 -0.91 . . . . 0.0 112.362 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.8 158.52 10.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 119.789 -1.82 . . . . 0.0 112.801 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.59 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.27 35.35 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 102.838 -3.023 . . . . 0.0 102.838 171.306 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.68 136.62 60.28 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 CA-C-O 122.208 1.004 . . . . 0.0 109.29 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.99 143.14 51.05 Favored 'General case' 0 C--N 1.285 -2.221 0 CA-C-O 123.154 1.454 . . . . 0.0 110.018 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.9 t -108.11 129.89 61.57 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.692 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.34 119.57 26.55 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.845 -1.16 . . . . 0.0 108.961 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.6 122.61 39.26 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.909 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.82 38.9 24.47 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.931 -1.106 . . . . 0.0 112.712 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 10.96 83.64 Favored Glycine 0 N--CA 1.502 3.041 0 O-C-N 119.934 -1.728 . . . . 0.0 112.577 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.31 54.53 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.79 158.53 33.13 Favored 'General case' 0 C--N 1.275 -2.645 0 CA-C-O 123.776 1.75 . . . . 0.0 112.444 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.75 151.38 31.31 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-N 112.396 -2.184 . . . . 0.0 108.572 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.61 135.99 48.85 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.76 47.53 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.674 -1.266 . . . . 0.0 110.763 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.54 12.93 31.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.717 -1.239 . . . . 0.0 109.295 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.3 t -133.01 104.17 6.41 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.141 0.972 . . . . 0.0 110.179 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.27 -37.94 73.13 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.9 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -58.89 -51.35 70.4 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.539 -1.351 . . . . 0.0 113.094 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.43 70.52 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 119.537 -1.977 . . . . 0.0 109.221 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.75 -33.75 75.8 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.004 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.521 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.62 -10.42 51.98 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.649 -0.657 . . . . 0.0 109.947 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.5 p -89.91 -7.63 53.71 Favored 'General case' 0 N--CA 1.502 2.139 0 C-N-CA 118.086 -1.446 . . . . 0.0 110.901 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.0 mt -93.36 159.26 15.33 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.21 -0.931 . . . . 0.0 110.153 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.65 104.81 2.96 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 106.981 -2.448 . . . . 0.0 106.981 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.5 mt -119.62 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.142 0 O-C-N 120.664 -1.492 . . . . 0.0 107.381 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.845 HG22 HG21 ' C' ' 56' ' ' THR . 5.2 p -81.41 172.61 13.33 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.228 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -60.72 140.92 57.35 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.401 -0.92 . . . . 0.0 109.83 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.2 79.25 Favored Glycine 0 N--CA 1.501 2.987 0 C-N-CA 120.047 -1.073 . . . . 0.0 111.361 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.35 135.85 34.13 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.891 -1.358 . . . . 0.0 110.748 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.6 t -96.45 123.74 48.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.2 m -112.22 160.1 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.298 0 C-N-CA 117.373 -1.731 . . . . 0.0 110.619 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.6 m -108.89 128.37 54.86 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 120.503 -1.373 . . . . 0.0 107.598 175.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.84 121.36 60.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.21 50.7 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.41 47.17 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 118.481 -1.288 . . . . 0.0 109.743 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.83 6.43 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 118.595 -1.242 . . . . 0.0 108.019 178.211 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.32 40.15 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 117.918 -2.086 . . . . 0.0 110.295 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.67 82.84 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 114.363 -0.918 . . . . 0.0 112.161 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.04 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 118.934 -2.353 . . . . 0.0 108.588 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.32 -33.51 65.65 Favored 'General case' 0 N--CA 1.522 3.167 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.454 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.97 -45.63 26.83 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 119.547 -1.971 . . . . 0.0 110.914 -176.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.84 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.74 97.86 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.58 77.36 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 117.55 -1.66 . . . . 0.0 110.085 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.91 -42.12 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 CA-C-O 122.182 0.992 . . . . 0.0 109.262 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.9 -47.95 76.51 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.016 0.912 . . . . 0.0 108.707 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.84 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.29 76.64 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.705 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' D' ' 377' ' ' LEU . 79.9 mt -75.65 -28.57 58.81 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.37 -1.456 . . . . 0.0 110.837 -174.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.52 71.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.479 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.15 63.49 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.31 -45.15 84.5 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 118.946 -1.101 . . . . 0.0 110.553 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.41 -37.37 85.56 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.94 -1.1 . . . . 0.0 111.526 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.87 -31.89 61.73 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.136 -0.977 . . . . 0.0 110.216 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.82 -32.32 46.2 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.478 -0.763 . . . . 0.0 111.372 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.04 125.44 12.14 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 124.293 1.997 . . . . 0.0 112.916 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 11.3 pt-20 . . . . . 0 C--N 1.277 -2.58 0 CA-C-N 111.167 -2.742 . . . . 0.0 110.138 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.611 ' O2 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.31 141.85 58.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.513 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 6' ' ' GLU . 82.9 tt0 -62.43 -41.45 98.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.469 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.688 ' O ' HG23 ' A' ' 8' ' ' VAL . 62.0 mt -37.82 -31.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.378 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.494 ' OE2' ' SD ' ' C' ' 68' ' ' MET . 98.2 mt-10 -65.37 -44.53 87.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.872 0.368 . . . . 1.9399999999999999 110.216 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.7 tt0 -67.2 -36.24 81.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.193 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.514 HG11 HD11 ' A' ' 58' ' ' LEU . 85.8 t -64.01 -42.24 95.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 4' ' ' LEU . 94.1 t -60.27 -44.81 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.932 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.405 ' CE ' HD22 ' D' ' 347' ' ' LEU . 90.6 mtp -59.44 -41.75 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.5 -0.555 . . . . 0.17999999999999999 109.5 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.43 -41.92 97.83 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.8 -42.91 99.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.227 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.32 -44.05 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.20000000000000001 109.721 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.514 HD11 ' HB1' ' D' ' 320' ' ' ALA . 88.8 mt -63.51 -44.56 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.01 109.984 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.509 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.9 t-20 -60.97 -46.11 92.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.776 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -60.54 -43.45 97.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.941 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.42 -43.27 98.49 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.501 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 92.5 mm-40 -62.2 -44.47 96.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.05 81.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.877 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.522 ' NH2' ' OG1' ' A' ' 83' ' ' THR . 42.9 ttm180 -61.23 -46.11 91.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -56.62 -43.18 79.94 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.27 -41.83 98.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.708 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.27 -48.32 79.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -60.43 -41.01 93.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.572 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.5 95.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.815 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.33 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.714 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.44 -45.39 94.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.508 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.15 -42.68 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.31 -41.22 93.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.772 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.35 95.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.745 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.24 -29.91 70.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.119 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -80.07 -4.16 51.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.46 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.4 13.76 72.76 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.33 79.76 2.57 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.766 0.317 . . . . 0.0 110.3 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -64.96 -33.69 76.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.624 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.42 78.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.086 0.469 . . . . 0.0 110.753 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.38 80.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.91 88.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.86 -40.53 97.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.616 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.6 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.742 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.6 mmm -64.63 -40.41 95.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.455 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 4.2 mmt -62.57 -41.64 99.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.608 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.96 -42.74 99.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 0.0 110.584 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -62.7 -39.8 95.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.213 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.42 ' HB3' ' HE ' ' A' ' 88' ' ' ARG . 39.7 t -61.95 -45.22 94.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.516 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 60.7 ttt85 -60.66 -42.25 96.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.349 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.7 mtt -61.96 -43.13 99.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 110.572 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.95 96.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.192 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.19 -40.31 94.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.657 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.9 -42.16 97.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.3 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.37 -40.45 93.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.204 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.509 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.44 -44.32 83.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.469 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -62.65 -37.84 87.97 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.03 -0.532 . . . . 0.089999999999999997 110.412 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.8 mt -61.22 -44.36 97.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.338 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.99 -43.75 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.055 0.455 . . . . 0.0 110.027 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.477 ' NE2' ' CB ' ' A' ' 77' ' ' ALA . 5.6 tp-100 -60.69 -42.81 97.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -55.99 -43.78 77.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.059999999999999998 110.027 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.41 -39.95 89.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 110.563 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.514 HD11 HG11 ' A' ' 7' ' ' VAL . 96.2 mt -67.96 -38.13 82.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.702 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -67.93 -39.79 82.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.048 -0.523 . . . . 0.050000000000000003 110.882 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -79.78 -14.82 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.474 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.6 -20.98 27.71 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -94.87 -23.11 17.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.578 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.77 87.91 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.466 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.432 ' H ' ' HD2' ' A' ' 67' ' ' LYS . . . -73.86 171.33 52.23 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -69.43 117.77 11.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.753 0.311 . . . . 0.0 110.738 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.56 6.21 89.33 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HD2' ' H ' ' A' ' 64' ' ' GLY . 47.1 tttm -69.02 133.23 47.84 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.694 0.283 . . . . 0.0 110.495 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.468 ' SD ' ' OE2' ' B' ' 5' ' ' GLU . 98.1 mmm -46.87 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.679 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 17.9 tptp -123.83 -127.82 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.914 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' H ' ' CG ' ' A' ' 69' ' ' LYS . 34.1 m -92.79 -143.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.649 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.2 p -132.86 167.76 19.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.66 -44.68 81.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.578 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.459 ' CG1' HG21 ' A' ' 8' ' ' VAL . 52.9 t -62.28 -45.71 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.0 110.537 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.54 -39.69 91.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.283 -0.417 . . . . 0.11 110.93 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.4 t -59.46 -47.35 91.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.752 -0.658 . . . . 0.38 110.227 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -58.18 -45.6 87.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.759 0.314 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.477 ' CB ' ' NE2' ' A' ' 55' ' ' GLN . . . -63.32 -40.83 98.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.552 -0.294 . . . . 0.059999999999999998 110.586 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.433 HE21 ' HG2' ' A' ' 55' ' ' GLN . 85.6 mm-40 -62.32 -40.46 96.4 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.238 -0.437 . . . . 1.0900000000000001 110.209 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 83' ' ' THR . 39.3 tp -57.43 -46.47 83.53 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.375 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.592 ' CE1' ' O3 ' ' D' ' 200' ' ' PO3 . 87.0 m-70 -67.78 -47.47 69.09 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.737 -0.385 . . . . 0.080000000000000002 110.736 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -60.95 -45.79 93.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.849 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.28 -43.29 99.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.193 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.522 ' OG1' ' NH2' ' A' ' 19' ' ' ARG . 22.5 p -63.74 -46.15 86.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.092 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.8 m -62.12 -50.1 73.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.413 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.2 ttp -57.45 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.562 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.01 -43.89 97.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.16 82.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.825 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.42 ' HE ' ' HB3' ' A' ' 44' ' ' SER . 67.8 ttt-85 -58.88 -45.82 89.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.068 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -60.59 -44.2 96.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.096 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.44 -42.6 95.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.182 0.515 . . . . 0.0 109.863 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.573 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.9 mt -60.89 -42.36 92.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.326 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.455 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 81.8 m -58.18 -45.91 86.7 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.513 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.8 mt-10 -63.2 -43.3 98.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.57 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.557 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 74.7 mt -59.82 -43.02 94.73 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.97 -43.08 95.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.498 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -62.1 -39.07 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 97' ' ' LEU . 35.9 mt -62.81 -41.76 99.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.9 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.557 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -60.08 -39.18 85.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.048 0.452 . . . . 0.0 109.811 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 103' ' ' ALA . 84.6 tt0 -61.78 -40.33 94.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.178 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.98 -38.32 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.51 -41.04 96.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.351 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.3 -9.26 39.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.496 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.492 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.42 141.76 58.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.509 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' B' ' 6' ' ' GLU . 82.8 tt0 -62.28 -41.39 98.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.689 ' O ' HG23 ' B' ' 8' ' ' VAL . 61.7 mt -37.88 -31.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.508 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.468 ' OE2' ' SD ' ' A' ' 68' ' ' MET . 97.7 mt-10 -65.36 -44.71 86.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.986 0.422 . . . . 1.9399999999999999 110.345 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.0 tt0 -66.71 -36.15 81.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.162 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.494 HG11 HD11 ' B' ' 58' ' ' LEU . 87.4 t -64.47 -42.12 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.338 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 4' ' ' LEU . 93.3 t -60.47 -44.54 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.898 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.6 -41.79 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.512 -0.551 . . . . 0.17999999999999999 109.512 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.16 97.58 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 11' ' ' LEU . 35.8 mt -62.54 -42.71 99.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.857 0.36 . . . . 0.0 110.409 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.65 -43.92 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.28999999999999998 109.719 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.56 -44.64 98.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.946 -0.57 . . . . 0.02 109.997 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.509 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.4 t-20 -60.81 -45.99 92.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.849 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -60.82 -43.13 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.196 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.86 -42.65 98.35 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -62.79 -44.35 96.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.86 82.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.944 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OG1' ' B' ' 83' ' ' THR . 43.0 ttm180 -61.02 -46.36 91.07 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -56.33 -43.59 79.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.11 -41.89 98.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.719 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.567 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.17 -48.63 78.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.478 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 23.4 m-85 -60.19 -40.88 91.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.677 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.72 95.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.743 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.5 90.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.617 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.39 -45.55 93.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.322 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.19 -42.44 73.24 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.74 -40.99 94.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.848 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.35 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.761 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.22 -30.04 70.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.094 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -79.93 -4.33 51.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.453 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.61 13.77 72.13 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.14 79.74 2.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.835 0.35 . . . . 0.0 110.304 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -65.09 -33.61 76.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.708 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.95 76.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.004 0.43 . . . . 0.0 110.755 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.37 80.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.434 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.23 86.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.527 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.61 -40.89 98.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.572 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.51 96.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.702 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 94.7 mmm -64.88 -40.54 95.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.471 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 4.0 mmt -62.51 -41.79 99.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.562 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -62.6 -42.91 99.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.41 -39.95 94.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.279 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.417 ' HB3' ' HE ' ' B' ' 88' ' ' ARG . 38.9 t -62.04 -45.23 94.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.422 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.55 -42.13 95.94 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.318 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -61.93 -43.49 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.301 0.572 . . . . 0.0 110.681 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.86 97.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.104 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 48' ' ' LEU . 92.6 mt -65.52 -40.05 92.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.75 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -61.19 -41.82 97.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.379 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.76 -40.2 91.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.084 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.509 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.69 -44.28 82.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.435 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.79 -37.73 87.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.089999999999999997 110.308 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.7 mt -61.34 -44.42 97.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.365 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.92 -44.08 96.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.128 0.489 . . . . 0.0 110.044 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.492 ' NE2' ' HB3' ' B' ' 77' ' ' ALA . 5.6 tp-100 -60.35 -42.74 96.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.257 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.11 -43.69 78.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.059999999999999998 109.966 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.6 -39.72 89.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.958 0.409 . . . . 0.0 110.561 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.494 HD11 HG11 ' B' ' 7' ' ' VAL . 96.1 mt -68.18 -37.95 81.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.703 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.96 -39.86 82.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.040000000000000001 110.839 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -79.92 -14.59 58.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.82 -20.71 27.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -95.19 -23.07 17.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.53 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.69 88.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.399 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.443 ' H ' ' HD2' ' B' ' 67' ' ' LYS . . . -74.27 170.96 53.14 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -69.04 117.86 11.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.701 0.286 . . . . 0.0 110.655 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.44 6.06 89.51 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.443 ' HD2' ' H ' ' B' ' 64' ' ' GLY . 47.2 tttm -68.94 133.56 48.36 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.627 0.251 . . . . 0.0 110.527 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . 0.48 ' SD ' ' OE2' ' C' ' 5' ' ' GLU . 98.0 mmm -47.16 -88.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.416 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 18.1 tptp -123.87 -127.69 0.25 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.764 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.416 ' H ' ' CG ' ' B' ' 69' ' ' LYS . 34.2 m -91.06 -144.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.837 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 52.4 p -132.44 169.28 16.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.537 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.29 -44.28 92.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.499 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.455 ' CG1' HG21 ' B' ' 8' ' ' VAL . 53.5 t -61.79 -45.01 99.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.92 -39.29 91.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.067 0.46 . . . . 0.11 110.919 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.52 -47.13 91.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.825 -0.625 . . . . 0.38 110.248 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.627 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 58.8 t-80 -58.25 -46.14 86.51 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.893 -0.323 . . . . 1.1100000000000001 110.302 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.492 ' HB3' ' NE2' ' B' ' 55' ' ' GLN . . . -62.96 -40.9 99.09 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.818 0.342 . . . . 0.059999999999999998 110.361 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.432 HE21 ' HG2' ' B' ' 55' ' ' GLN . 86.4 mm-40 -62.25 -40.45 96.23 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.158 -0.473 . . . . 1.0900000000000001 110.259 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 83' ' ' THR . 38.9 tp -57.71 -46.17 84.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.376 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.627 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 87.4 m-70 -67.96 -47.06 69.66 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.756 -0.378 . . . . 0.080000000000000002 110.746 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.32 -45.69 93.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.876 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.31 -43.12 99.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.255 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.542 HG23 ' O ' ' B' ' 79' ' ' LEU . 23.6 p -63.99 -45.88 87.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.185 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -62.19 -50.16 72.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.3 -48.15 79.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.429 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.01 -43.76 98.16 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.109 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.14 82.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.894 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.417 ' HE ' ' HB3' ' B' ' 44' ' ' SER . 68.4 ttt-85 -58.81 -46.07 88.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.243 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.498 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.1 mt-10 -60.26 -44.43 95.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.056 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.32 -42.42 96.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 110.06 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.567 HD12 ' HB1' ' B' ' 22' ' ' ALA . 74.7 mt -60.97 -42.62 93.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.194 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.471 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 72.6 m -58.04 -45.94 86.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.077 0.465 . . . . 0.0 109.857 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.507 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -62.97 -43.42 98.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.506 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.1 mt -59.68 -42.91 93.99 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.3 mt -61.24 -43.09 95.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.55 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.74 -39.65 92.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.731 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.8 mt -62.2 -42.23 99.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.864 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -59.65 -39.49 84.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.759 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' B' ' 103' ' ' ALA . 83.6 tt0 -61.66 -40.39 94.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.143 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.9 -38.56 91.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.173 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.8 mt -64.12 -41.3 97.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.14 -9.0 40.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.397 0 CA-C-O 117.866 -1.064 . . . . 0.0 110.496 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.29 141.75 58.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.653 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' C' ' 6' ' ' GLU . 83.4 tt0 -62.15 -41.63 98.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.695 ' O ' HG23 ' C' ' 8' ' ' VAL . 60.9 mt -37.68 -31.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.433 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . 0.48 ' OE2' ' SD ' ' B' ' 68' ' ' MET . 97.5 mt-10 -65.11 -44.8 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.813 0.339 . . . . 1.9399999999999999 110.353 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.0 tt0 -66.69 -36.21 81.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.28 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.515 HG11 HD11 ' C' ' 58' ' ' LEU . 88.5 t -64.14 -42.8 96.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.311 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.695 HG23 ' O ' ' C' ' 4' ' ' LEU . 93.5 t -59.81 -44.65 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.049 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -59.66 -41.8 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.545 -0.539 . . . . 0.17999999999999999 109.545 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.08 97.96 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' C' ' 11' ' ' LEU . 35.6 mt -62.65 -42.73 99.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.884 0.373 . . . . 0.0 110.412 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.49 -43.95 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.29999999999999999 109.715 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.4 -44.74 99.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.013 -0.539 . . . . 0.02 110.041 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.514 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.3 t-20 -60.73 -46.01 92.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.807 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -60.7 -43.55 97.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.155 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.51 -42.91 98.8 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -62.38 -44.6 96.08 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.51 80.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.798 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OG1' ' C' ' 83' ' ' THR . 42.9 ttm180 -60.72 -46.53 90.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -56.41 -43.33 79.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -62.12 -41.79 98.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.671 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.588 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.12 -49.03 77.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.498 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -59.86 -41.42 91.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.536 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.63 94.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.655 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.12 91.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.551 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.83 -45.11 95.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.418 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.55 -42.4 74.58 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.8 -41.04 94.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.935 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.23 94.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.795 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.55 -29.63 70.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.052 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -80.23 -4.34 52.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.43 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.89 13.45 72.08 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -97.84 79.93 2.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.737 0.303 . . . . 0.0 110.246 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.24 -34.03 77.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.521 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.68 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.075 0.464 . . . . 0.0 110.676 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.3 80.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.404 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.81 88.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.477 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.95 -41.13 99.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.562 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.56 96.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.738 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 94.9 mmm -64.96 -40.58 95.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.449 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 4.1 mmt -62.63 -41.47 99.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.607 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.89 -42.94 99.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.912 0.387 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.44 -39.7 94.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.266 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.416 ' HB3' ' HE ' ' C' ' 88' ' ' ARG . 38.5 t -62.29 -45.23 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.57 -42.08 95.91 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.417 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 60.3 mtt -61.96 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.335 0.588 . . . . 0.0 110.504 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.74 97.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.311 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.3 mt -65.82 -40.23 91.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.675 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.98 -42.02 97.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.347 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.18 -40.86 94.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.029 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.514 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.43 -44.18 83.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.451 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.558 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 85.5 t60 -62.76 -37.67 87.56 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.089999999999999997 110.285 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.55 -44.36 97.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.373 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.82 -43.69 96.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.082 0.468 . . . . 0.0 110.077 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.49 ' NE2' ' CB ' ' C' ' 77' ' ' ALA . 5.6 tp-100 -60.75 -42.86 98.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.25 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.805 HG21 HG22 ' D' ' 356' ' ' THR . 19.4 m -56.04 -43.54 77.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.059999999999999998 110.159 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.59 -39.61 88.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.521 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.515 HD11 HG11 ' C' ' 7' ' ' VAL . 96.2 mt -68.09 -38.08 81.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.742 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.03 -39.75 82.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.059999999999999998 110.801 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.524 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.9 mm-40 -80.06 -14.49 58.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.57 -21.1 27.46 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -94.95 -23.27 17.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.774 0.321 . . . . 0.0 110.465 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.51 88.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.452 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . 0.454 ' H ' ' HD2' ' C' ' 67' ' ' LYS . . . -74.19 171.12 52.91 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -69.24 118.01 11.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 110.583 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.38 6.08 89.52 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.454 ' HD2' ' H ' ' C' ' 64' ' ' GLY . 47.2 tttm -68.87 133.49 48.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.62 0.248 . . . . 0.0 110.616 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . 0.494 ' SD ' ' OE2' ' A' ' 5' ' ' GLU . 98.0 mmm -47.29 -89.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.609 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.494 ' NZ ' ' CG2' ' D' ' 316' ' ' THR . 17.7 tptp -123.97 -127.9 0.25 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.417 ' H ' ' CG ' ' C' ' 69' ' ' LYS . 34.1 m -90.86 -144.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.75 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 47.0 p -131.61 171.41 13.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.454 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.31 -45.12 92.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.661 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.401 ' CG1' HG21 ' C' ' 8' ' ' VAL . 54.3 t -62.57 -45.27 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 130.134 3.374 . . . . 0.0 110.568 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.76 -39.66 94.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.08 0.467 . . . . 0.11 110.957 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.22 -47.92 88.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.752 -0.658 . . . . 0.40000000000000002 110.274 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.627 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 58.8 t-80 -58.17 -45.95 86.57 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.88 -0.328 . . . . 1.02 110.324 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.49 ' CB ' ' NE2' ' C' ' 55' ' ' GLN . . . -63.14 -40.67 98.25 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.908 0.385 . . . . 0.059999999999999998 110.439 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.439 HE21 ' HG2' ' C' ' 55' ' ' GLN . 86.2 mm-40 -62.42 -40.58 96.99 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.244 -0.434 . . . . 1.0900000000000001 110.237 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.542 ' O ' HG23 ' C' ' 83' ' ' THR . 37.8 tp -57.54 -46.24 84.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.501 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.627 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 87.3 m-70 -68.07 -46.86 69.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.301 -0.409 . . . . 0.080000000000000002 110.762 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.4 -45.81 92.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.814 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.34 -42.93 99.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.424 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.542 HG23 ' O ' ' C' ' 79' ' ' LEU . 24.3 p -64.07 -45.96 86.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.28 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -62.13 -50.11 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.22 -48.18 79.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.491 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.86 -43.97 97.77 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.148 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.51 80.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.941 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.416 ' HE ' ' HB3' ' C' ' 44' ' ' SER . 67.9 ttt-85 -58.43 -46.33 86.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.234 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.95 -44.41 94.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.908 0.385 . . . . 0.0 110.194 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.43 -42.49 95.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.152 0.501 . . . . 0.0 110.003 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.588 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.0 mt -60.84 -42.71 93.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.367 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.449 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 76.0 m -57.82 -45.8 85.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.138 0.494 . . . . 0.0 110.028 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.33 -43.52 97.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.486 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 76.5 mt -59.24 -43.13 92.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.15 -43.0 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.547 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -61.72 -39.67 92.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.701 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.1 mt -62.15 -42.02 98.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.944 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.0 m80 -60.01 -39.32 85.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.734 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' C' ' 103' ' ' ALA . 84.0 tt0 -61.62 -40.37 94.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.103 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.83 -38.56 91.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.197 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.37 -41.11 96.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.312 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.25 -9.28 39.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.408 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.531 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.531 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.215 -0.726 0 CA-C-O 121.907 0.861 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.77 143.06 36.75 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.26 38.49 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.866 -1.146 . . . . 0.0 109.564 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.11 149.22 28.57 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 152.28 19.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.993 -1.067 . . . . 0.0 108.376 178.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.87 144.28 19.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.4 m -96.62 136.59 36.93 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 122.165 0.983 . . . . 0.0 110.133 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.32 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.87 -4.33 19.32 Favored 'General case' 0 C--N 1.265 -3.078 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.56 141.79 85.64 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 119.637 -1.914 . . . . 0.0 110.577 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.45 -47.68 12.78 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 124.769 3.646 . . . . 0.0 114.153 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.558 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 98.7 m-20 -102.14 27.59 6.52 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 116.059 -2.256 . . . . 0.0 108.806 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.69 -125.84 26.31 Favored Glycine 0 N--CA 1.496 2.676 0 C-N-CA 117.653 -2.213 . . . . 0.0 109.604 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.748 HD11 HD23 ' D' ' 384' ' ' LEU . 3.8 tp -128.21 75.85 1.65 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.938 -1.33 . . . . 0.0 109.458 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -80.79 174.53 11.53 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 117.909 -1.517 . . . . 0.0 112.129 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.55 ' OG1' ' O3 ' ' D' ' 200' ' ' PO3 . 58.6 p -24.78 -67.67 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -177.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.501 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 8.4 ttt-85 -45.54 -65.41 0.66 Allowed Pre-proline 0 N--CA 1.493 1.712 0 C-N-CA 120.108 -0.637 . . . . 0.0 112.488 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.6 -32.21 58.72 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 C-N-CA 121.869 1.713 . . . . 0.0 111.465 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.491 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.87 86.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.239 -0.913 . . . . 0.0 109.486 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.514 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.97 -39.67 72.4 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -64.0 -39.37 93.97 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 117.946 -1.501 . . . . 0.0 109.507 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.59 -45.35 93.31 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.656 1.217 . . . . 0.0 108.756 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.7 t -62.67 -42.18 95.09 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.689 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.411 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 63.4 mttm -63.91 -40.29 96.14 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.21 -0.931 . . . . 0.0 109.783 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.527 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.73 -39.73 80.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.424 -0.798 . . . . 0.0 109.57 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.02 91.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.58 -1.325 . . . . 0.0 109.46 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.35 -16.11 42.89 Favored 'General case' 0 N--CA 1.512 2.64 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.0 -10.54 86.2 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 119.954 -1.716 . . . . 0.0 109.268 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.423 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.31 32.89 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.26 -1.729 . . . . 0.0 109.998 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.55 -30.13 59.62 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.285 -0.884 . . . . 0.0 112.366 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.71 158.57 10.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 119.841 -1.787 . . . . 0.0 112.8 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.97 130.29 35.4 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 102.814 -3.032 . . . . 0.0 102.814 171.243 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.75 136.61 60.3 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-O 122.208 1.004 . . . . 0.0 109.336 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.9 143.2 50.98 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 123.08 1.419 . . . . 0.0 110.02 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.6 t -108.12 129.99 61.41 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.703 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 173.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.9 m -127.52 119.63 26.45 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.835 -1.166 . . . . 0.0 108.871 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.61 122.63 39.29 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.578 -0.701 . . . . 0.0 109.891 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.74 38.9 24.21 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.945 -1.097 . . . . 0.0 112.747 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 10.91 83.6 Favored Glycine 0 N--CA 1.5 2.952 0 O-C-N 119.956 -1.715 . . . . 0.0 112.556 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.77 136.3 54.51 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.78 158.58 32.98 Favored 'General case' 0 C--N 1.276 -2.623 0 CA-C-O 123.762 1.744 . . . . 0.0 112.494 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.74 151.44 31.41 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 112.508 -2.133 . . . . 0.0 108.575 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.62 135.9 48.76 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.94 -6.78 47.55 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.715 -1.24 . . . . 0.0 110.734 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.53 13.07 31.24 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.694 -1.254 . . . . 0.0 109.425 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 94.8 p -133.11 104.09 6.34 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.183 0.992 . . . . 0.0 110.144 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.405 HD22 ' CE ' ' A' ' 9' ' ' MET . 53.8 tp -57.19 -37.89 72.85 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.007 178.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -58.91 -51.35 70.42 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.6 -1.313 . . . . 0.0 113.068 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.35 70.33 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 119.616 -1.928 . . . . 0.0 109.224 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.75 75.84 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.945 -1.102 . . . . 0.0 109.924 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.524 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.68 -10.41 52.1 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.616 -0.677 . . . . 0.0 109.928 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.4 p -89.83 -7.67 53.8 Favored 'General case' 0 N--CA 1.503 2.215 0 C-N-CA 118.084 -1.446 . . . . 0.0 110.922 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.41 159.23 15.34 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.166 -0.958 . . . . 0.0 110.134 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.65 104.85 2.96 Favored Glycine 0 N--CA 1.485 1.928 0 N-CA-C 106.956 -2.457 . . . . 0.0 106.956 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . 0.439 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.9 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.308 -1.212 0 O-C-N 120.724 -1.456 . . . . 0.0 107.398 -178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.805 HG22 HG21 ' C' ' 56' ' ' THR . 2.2 p -81.41 172.54 13.42 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.284 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.72 140.92 57.35 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.321 -0.952 . . . . 0.0 109.862 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.16 78.99 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 120.015 -1.088 . . . . 0.0 111.35 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.39 135.91 34.08 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.873 -1.369 . . . . 0.0 110.658 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.53 123.7 48.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.23 160.08 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 C-N-CA 117.408 -1.717 . . . . 0.0 110.604 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.1 m -108.86 128.4 54.88 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.504 -1.373 . . . . 0.0 107.611 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.93 121.4 60.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.62 147.23 50.71 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -179.543 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.36 47.23 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 118.535 -1.266 . . . . 0.0 109.803 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.8 6.43 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 118.517 -1.273 . . . . 0.0 108.008 178.18 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.32 40.15 Favored Glycine 0 C--N 1.296 -1.671 0 C-N-CA 118.035 -2.031 . . . . 0.0 110.379 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.57 82.6 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.385 -0.908 . . . . 0.0 112.195 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 115.822 -2.351 . . . . 0.0 108.556 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.43 -33.51 65.91 Favored 'General case' 0 N--CA 1.521 3.085 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.84 -45.66 27.62 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 119.537 -1.977 . . . . 0.0 110.98 -176.563 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.833 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.56 -40.66 97.56 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 178.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.54 77.46 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 117.528 -1.669 . . . . 0.0 110.067 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.2 t -66.77 -42.3 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 CA-C-O 122.221 1.01 . . . . 0.0 109.264 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.82 -47.94 76.3 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.079 0.942 . . . . 0.0 108.78 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.833 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.8 -38.28 76.59 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.731 -178.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.3 mt -75.68 -28.54 58.72 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.373 -1.454 . . . . 0.0 110.9 -174.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.26 62.9 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.527 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.23 -45.28 84.03 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.076 -1.05 . . . . 0.0 110.501 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.28 -37.43 85.48 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.844 -1.16 . . . . 0.0 111.568 -177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.82 61.61 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.124 -0.985 . . . . 0.0 110.273 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.83 -32.31 46.14 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.475 -0.765 . . . . 0.0 111.323 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.748 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.11 125.5 12.38 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 124.383 2.039 . . . . 0.0 112.872 178.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.3 mm-40 . . . . . 0 C--N 1.278 -2.513 0 CA-C-N 111.061 -2.79 . . . . 0.0 110.127 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.592 ' O3 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.513 ' OE2' ' CD1' ' A' ' 4' ' ' LEU . 81.3 tt0 -72.35 155.32 40.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.524 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 6' ' ' GLU . 81.4 tt0 -60.07 -44.49 94.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.492 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 8' ' ' VAL . 90.3 mt -37.11 -32.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' GLU . 79.5 mm-40 -64.77 -44.87 88.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.958 0.409 . . . . 1.9399999999999999 110.306 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.1 mt-10 -67.19 -34.99 78.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.262 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.09 -42.15 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.375 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 4' ' ' LEU . 99.0 t -61.05 -44.22 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.974 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.412 ' CE ' HD22 ' D' ' 347' ' ' LEU . 88.5 mtp -58.42 -41.25 84.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.491 -0.559 . . . . 0.17999999999999999 109.491 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -40.99 98.57 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.458 HD21 ' HB ' ' A' ' 54' ' ' VAL . 32.3 mt -63.35 -42.93 98.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.22 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.13 -44.48 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.20000000000000001 109.683 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.508 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.3 mt -63.6 -44.32 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.047 -0.524 . . . . 0.01 109.972 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.46 -46.32 89.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.842 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -60.73 -44.93 96.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.957 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.52 -43.02 99.62 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.563 ' NE2' HH21 ' D' ' 317' ' ' ARG . 91.1 mm-40 -63.49 -43.77 96.3 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.24 -49.32 78.3 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.829 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.45 -47.18 87.22 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.1 p -55.6 -44.1 76.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.13 -41.77 98.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.664 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.39 -49.95 74.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.403 0.621 . . . . 0.0 109.341 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.05 -40.74 90.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.557 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.33 94.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.46 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.676 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HB2' HG23 ' A' ' 91' ' ' ILE . 53.4 tp -61.72 -45.02 95.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.439 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.86 -42.42 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.67 -41.55 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.807 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.12 96.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.681 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.0 -28.76 69.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.186 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -80.29 -4.16 52.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.46 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.23 14.54 68.71 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.44 78.96 2.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.303 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -64.74 -34.55 78.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.67 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.41 74.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.491 . . . . 0.0 110.786 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.13 80.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.98 81.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.54 -42.19 98.46 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.62 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.56 99.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.789 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.3 mmm -65.77 -40.17 91.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.573 ' HE1' HG23 ' A' ' 92' ' ' THR . 91.0 mtp -63.43 -41.31 98.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.59 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.69 -44.56 96.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.981 0.42 . . . . 0.0 110.611 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.05 -41.66 99.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.222 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 41' ' ' MET . 77.9 p -60.92 -46.2 91.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.56 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.551 ' NH2' HH12 ' A' ' 88' ' ' ARG . 62.9 ttm-85 -60.14 -42.9 95.83 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.345 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 62.0 mtt -61.68 -43.01 99.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.269 0.557 . . . . 0.0 110.605 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.83 92.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.2 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' A' ' 18' ' ' ALA . 96.4 mt -65.32 -40.45 93.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.665 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.92 -42.08 97.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.245 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.05 -40.76 91.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.18 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.79 78.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.484 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -60.95 -38.85 87.3 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.089999999999999997 110.322 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.5 mt -59.98 -44.61 94.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.458 ' HB ' HD21 ' A' ' 11' ' ' LEU . 78.7 t -65.67 -42.77 93.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.069 0.461 . . . . 0.0 109.994 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.456 ' OE1' HD13 ' A' ' 11' ' ' LEU . 47.4 tp60 -59.95 -45.22 93.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.251 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -54.88 -43.97 73.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.059999999999999998 110.018 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -60.32 -39.63 87.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.497 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.82 -38.76 89.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.603 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.7 mt -72.53 -36.86 55.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.097 -0.501 . . . . 0.050000000000000003 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -80.52 -10.69 59.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.34 178.79 26.49 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 54.8 p-10 -65.21 141.4 58.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.604 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.59 143.77 54.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.71 170.51 35.93 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.4 118.84 8.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.887 0.375 . . . . 0.0 110.687 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.89 3.22 89.23 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -99.93 138.9 36.37 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.707 0.289 . . . . 0.0 110.436 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.8 mtt -94.9 -93.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -108.77 -29.11 8.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -109.05 131.59 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.664 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 75' ' ' VAL . 5.1 p -122.31 155.18 36.49 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.64 -45.29 85.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.603 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.565 HG13 HG21 ' A' ' 8' ' ' VAL . 74.9 t -64.06 -47.66 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.906 0.384 . . . . 0.0 110.588 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.51 -41.3 98.52 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.974 0.416 . . . . 0.11 110.874 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 71' ' ' SER . 54.6 t -59.81 -48.18 88.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.761 -0.654 . . . . 0.38 110.19 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.44 ' ND1' ' CG2' ' C' ' 70' ' ' VAL . 1.4 t60 -59.26 -45.82 90.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.835 0.35 . . . . 0.0 110.354 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.63 95.99 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.524 -0.307 . . . . 0.059999999999999998 110.639 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -62.64 -40.58 97.47 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.202 -0.454 . . . . 1.0900000000000001 110.191 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 83' ' ' THR . 47.6 tp -56.82 -45.93 82.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.434 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.614 ' CE1' ' O3 ' ' D' ' 200' ' ' PO3 . 70.0 m-70 -67.03 -46.25 75.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.34 -0.391 . . . . 0.080000000000000002 110.776 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.9 -45.83 92.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.766 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.16 -43.55 98.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.15 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.8 p -63.46 -46.67 85.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.058 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.7 t -62.39 -48.81 78.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.445 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.57 -48.82 78.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.54 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.17 -44.47 97.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.058 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.24 80.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.853 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.551 HH12 ' NH2' ' A' ' 45' ' ' ARG . 76.5 ttt-85 -59.09 -45.61 90.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.173 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.4 -43.97 96.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.086 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.94 -42.21 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.17 0.509 . . . . 0.0 109.931 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.664 HD12 ' HB1' ' A' ' 22' ' ' ALA . 75.6 mt -60.14 -42.64 90.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.573 HG23 ' HE1' ' A' ' 41' ' ' MET . 67.8 m -56.94 -45.83 82.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.501 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.5 mt-10 -63.36 -43.25 98.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.578 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.541 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.6 mt -59.93 -43.16 95.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.59 -42.76 95.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.51 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -61.45 -39.79 92.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.087 0.47 . . . . 0.0 109.769 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 97' ' ' LEU . 38.0 mt -62.26 -42.17 99.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.879 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.541 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.4 m80 -59.7 -39.58 85.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.25 -39.36 92.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.152 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.93 -37.96 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.185 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 103' ' ' ALA . 41.6 mt -63.68 -40.68 97.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.463 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 58.81 -72.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.522 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.591 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.524 ' OE2' ' CD1' ' B' ' 4' ' ' LEU . 80.4 tt0 -72.27 155.25 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' B' ' 6' ' ' GLU . 80.5 tt0 -60.0 -44.32 94.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.435 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.57 ' O ' HG23 ' B' ' 8' ' ' VAL . 90.4 mt -37.21 -32.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.474 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 3' ' ' GLU . 79.6 mm-40 -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 1.9399999999999999 110.362 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.0 mt-10 -66.8 -35.38 79.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.218 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.76 -42.4 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.358 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 4' ' ' LEU . 99.4 t -60.87 -44.28 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.881 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.42 -41.32 84.75 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.588 -0.523 . . . . 0.17999999999999999 109.588 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -41.16 98.68 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.459 HD13 ' OE1' ' B' ' 55' ' ' GLN . 32.7 mt -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.406 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.15 -44.24 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.28999999999999998 109.688 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.81 -44.51 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.902 -0.59 . . . . 0.02 109.97 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.25 -46.45 88.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.79 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -60.55 -44.92 95.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.09 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.67 -43.11 99.46 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.121 -1.191 . . . . 0.0 110.121 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' B' ' 20' ' ' SER . 91.5 mm-40 -63.14 -44.11 96.46 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.68 -49.64 76.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.885 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.29 -46.92 88.15 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.6 p -55.78 -43.89 77.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.26 -42.01 98.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.733 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.34 -50.06 74.16 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -59.79 -40.73 89.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.725 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.69 95.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.73 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.63 89.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.68 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.44 ' HB2' HG23 ' B' ' 91' ' ' ILE . 55.9 tp -61.7 -44.96 95.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.346 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -55.88 -42.44 75.94 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.65 -41.66 99.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.918 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.41 95.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.649 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.71 -29.01 69.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.013 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.25 -4.1 51.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.356 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.24 14.16 69.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.09 78.93 2.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.773 0.32 . . . . 0.0 110.337 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.76 -34.6 78.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.613 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -49.34 75.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.008 0.433 . . . . 0.0 110.756 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.3 80.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.17 -47.91 82.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.73 -42.5 99.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.586 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.28 99.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.729 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 91.4 mmm -66.21 -40.01 90.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.569 ' HE1' HG23 ' B' ' 92' ' ' THR . 91.0 mtp -63.24 -41.46 99.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.559 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.96 -44.3 97.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.499 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.32 -40.95 98.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.316 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.6 p -61.49 -46.21 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.461 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.55 ' NH2' HH12 ' B' ' 88' ' ' ARG . 62.7 ttm-85 -60.39 -42.66 96.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.257 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 62.2 mtt -61.63 -43.28 99.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.309 0.576 . . . . 0.0 110.655 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.62 92.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.21 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' B' ' 18' ' ' ALA . 95.8 mt -65.49 -40.05 92.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.749 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.15 -42.27 98.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.37 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.73 -40.88 92.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.194 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.86 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.477 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -60.86 -38.72 86.54 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.089999999999999997 110.275 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 53' ' ' LEU . 36.1 mt -60.25 -44.58 95.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.3 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.456 ' HB ' HD21 ' B' ' 11' ' ' LEU . 76.0 t -65.49 -43.04 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.038 0.446 . . . . 0.0 110.016 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.459 ' OE1' HD13 ' B' ' 11' ' ' LEU . 47.2 tp60 -59.65 -45.84 90.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.277 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -54.27 -44.19 71.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.059999999999999998 109.96 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.56 -39.79 89.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.552 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.3 mt -65.25 -38.8 91.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.685 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 77.3 mt -72.43 -37.3 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.040000000000000001 110.787 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -80.42 -10.17 59.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.41 178.51 27.34 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.483 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 55.6 p-10 -65.09 141.24 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.545 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.13 144.16 55.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.09 170.72 36.97 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.54 119.01 8.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.337 . . . . 0.0 110.616 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.06 2.87 89.28 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -99.5 139.09 35.66 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.642 0.258 . . . . 0.0 110.551 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mtt -95.01 -93.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.695 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -108.26 -29.13 9.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.859 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 63.7 t -109.7 131.02 61.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.6 ' O ' HG23 ' B' ' 75' ' ' VAL . 10.0 p -121.57 157.39 30.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.601 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.29 -45.12 94.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.554 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.557 HG13 HG21 ' B' ' 8' ' ' VAL . 77.0 t -62.98 -47.07 94.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.561 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.02 -40.85 97.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.062 0.458 . . . . 0.11 110.963 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 71' ' ' SER . 56.0 t -59.96 -47.8 90.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.77 -0.65 . . . . 0.38 110.275 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.676 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.3 t-80 -59.28 -46.24 89.07 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.9 -0.32 . . . . 1.1100000000000001 110.265 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.47 96.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.841 0.353 . . . . 0.059999999999999998 110.42 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.93 -40.68 98.35 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.147 -0.478 . . . . 1.0900000000000001 110.29 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 83' ' ' THR . 48.2 tp -56.83 -45.94 82.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.676 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 71.6 m-70 -67.05 -46.34 74.65 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.689 -0.404 . . . . 0.080000000000000002 110.726 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.68 -46.08 91.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.863 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.89 -43.47 98.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.293 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.476 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.7 p -63.6 -46.49 85.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.187 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 40.9 t -62.34 -48.64 78.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.637 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.71 -48.49 79.43 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.462 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.52 -44.28 97.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.146 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.25 80.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.927 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.55 HH12 ' NH2' ' B' ' 45' ' ' ARG . 76.3 ttt-85 -58.99 -45.53 90.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.276 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 98.0 mt-10 -60.54 -43.98 96.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.19 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.84 -41.92 97.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.152 0.501 . . . . 0.0 110.086 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' B' ' 22' ' ' ALA . 73.6 mt -60.56 -42.48 91.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.247 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.569 HG23 ' HE1' ' B' ' 41' ' ' MET . 69.7 m -56.94 -46.12 82.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.08 0.467 . . . . 0.0 109.916 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.466 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -62.98 -43.55 98.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.442 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.3 mt -59.73 -43.47 94.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.28 -42.97 95.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.545 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.16 -40.04 92.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.7 mt -62.17 -41.81 98.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.867 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.7 m80 -59.91 -39.79 86.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.811 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.74 -39.68 92.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.133 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.05 -37.63 88.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.188 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' B' ' 103' ' ' ALA . 41.3 mt -63.9 -40.51 96.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.414 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 58.61 -72.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.529 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' B' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.578 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.523 ' OE2' ' CD1' ' C' ' 4' ' ' LEU . 81.3 tt0 -72.25 154.8 40.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' C' ' 6' ' ' GLU . 81.7 tt0 -59.59 -44.25 93.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.358 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.585 ' O ' HG23 ' C' ' 8' ' ' VAL . 89.5 mt -37.41 -32.19 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.392 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' C' ' 3' ' ' GLU . 79.6 mm-40 -64.84 -44.92 88.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.829 0.347 . . . . 1.9399999999999999 110.349 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.5 mt-10 -66.97 -35.25 79.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.336 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.7 -42.43 95.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.585 HG23 ' O ' ' C' ' 4' ' ' LEU . 98.6 t -61.07 -44.05 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.994 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mtp -58.47 -41.51 85.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.603 -0.517 . . . . 0.17999999999999999 109.603 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.52 98.97 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.46 HD21 ' HB ' ' C' ' 54' ' ' VAL . 33.5 mt -62.76 -43.45 98.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.905 0.383 . . . . 0.0 110.43 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.71 -44.38 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.29999999999999999 109.711 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.71 -44.19 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.016 -0.538 . . . . 0.02 110.045 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.48 -46.49 88.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.838 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -60.66 -44.82 96.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.153 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.57 -43.28 99.24 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.039 -1.225 . . . . 0.0 110.039 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.504 ' O ' ' OG ' ' C' ' 20' ' ' SER . 91.2 mm-40 -63.23 -44.13 96.11 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.494 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.44 -50.08 74.99 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.24 -46.85 88.35 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.5 p -56.08 -43.63 78.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.41 -41.66 98.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.65 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.662 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.59 -50.02 74.48 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.425 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.3 m-85 -59.9 -41.09 90.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.538 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.67 94.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.778 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.1 89.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.594 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.436 ' HB2' HG23 ' C' ' 91' ' ' ILE . 55.9 tp -61.33 -45.11 95.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.79 -42.38 75.49 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.92 -41.3 99.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.89 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.21 95.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.756 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.32 -28.64 69.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.049 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -80.25 -4.09 51.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.448 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.22 14.15 69.62 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.01 78.7 2.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.741 0.305 . . . . 0.0 110.221 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.5 -34.99 79.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.538 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -49.18 76.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.041 0.448 . . . . 0.0 110.748 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.97 79.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.6 82.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.496 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.08 -42.17 98.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.571 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.91 99.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.747 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 91.7 mmm -65.53 -40.79 93.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.556 ' HE1' HG23 ' C' ' 92' ' ' THR . 91.1 mtp -62.61 -41.75 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.662 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.73 -44.5 96.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.454 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.98 -41.24 99.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.7 p -61.17 -46.45 90.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.51 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.532 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.7 ttm-85 -60.29 -42.4 95.41 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.324 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.91 -43.05 99.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.354 0.597 . . . . 0.0 110.516 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.09 92.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.354 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.494 HD21 ' CB ' ' C' ' 18' ' ' ALA . 96.1 mt -65.16 -40.52 94.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.1 -42.0 97.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.381 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.12 -40.46 90.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.09 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.63 -46.22 76.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.432 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.586 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 63.3 t-80 -60.72 -38.53 85.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 0.089999999999999997 110.311 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.1 mt -60.19 -44.52 95.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.46 ' HB ' HD21 ' C' ' 11' ' ' LEU . 75.2 t -65.47 -42.91 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.027 0.441 . . . . 0.0 109.97 178.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' C' ' 11' ' ' LEU . 47.0 tp60 -60.23 -45.2 94.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.911 HG21 HG22 ' D' ' 356' ' ' THR . 18.1 m -54.68 -43.92 72.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.059999999999999998 110.118 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -60.73 -39.61 89.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.517 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.47 -38.86 91.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.3 mt -72.17 -37.29 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.059999999999999998 110.822 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.532 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -80.58 -10.29 59.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.41 178.59 27.17 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 55.6 p-10 -65.2 141.91 58.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.869 0.366 . . . . 0.0 110.463 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.89 144.13 54.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.05 170.5 37.24 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.33 118.84 8.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.588 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.02 3.03 89.36 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -99.34 139.43 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.576 0.227 . . . . 0.0 110.578 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 65.8 mtt -95.55 -93.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.534 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -108.7 -29.14 8.85 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.44 ' CG2' ' ND1' ' A' ' 76' ' ' HIS . 61.8 t -109.42 130.67 62.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.688 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.601 ' O ' HG23 ' C' ' 75' ' ' VAL . 9.5 p -120.25 159.51 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.532 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.76 -44.1 97.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.663 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.558 HG13 HG21 ' C' ' 8' ' ' VAL . 73.1 t -64.63 -47.54 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 130.182 3.393 . . . . 0.0 110.612 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.9 -40.64 91.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.2 -0.454 . . . . 0.11 110.997 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.601 HG23 ' O ' ' C' ' 71' ' ' SER . 55.8 t -60.32 -48.02 89.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.73 -0.668 . . . . 0.40000000000000002 110.22 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.656 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.3 t-80 -59.41 -46.39 88.83 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.938 -0.305 . . . . 1.02 110.275 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.51 96.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.93 0.395 . . . . 0.059999999999999998 110.434 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.59 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 58.1 tt0 -62.77 -41.11 99.08 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0900000000000001 110.265 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.464 ' O ' HG23 ' C' ' 83' ' ' THR . 47.6 tp -56.33 -46.19 80.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.529 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.656 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 71.8 m-70 -66.97 -46.38 74.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.304 -0.407 . . . . 0.080000000000000002 110.802 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.53 -46.42 90.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.836 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.51 -43.38 98.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.395 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.464 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -63.74 -46.4 85.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.172 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.6 t -62.56 -48.35 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.94 -48.68 79.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 110.515 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.25 -44.35 97.4 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.173 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.06 -48.21 80.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.009 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.532 HH12 ' NH2' ' C' ' 45' ' ' ARG . 76.4 ttt-85 -59.2 -45.36 91.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.253 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.4 -44.22 95.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.936 0.398 . . . . 0.0 110.141 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.77 -42.15 97.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.123 0.487 . . . . 0.0 109.976 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.662 HD12 ' HB1' ' C' ' 22' ' ' ALA . 74.7 mt -60.3 -42.52 90.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.556 HG23 ' HE1' ' C' ' 41' ' ' MET . 68.8 m -57.03 -45.84 82.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.097 0.475 . . . . 0.0 109.993 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.34 -43.14 98.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.534 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.55 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.1 mt -59.91 -43.2 95.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.6 -43.04 96.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.528 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.95 -40.11 92.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.98 -42.31 98.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.899 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.55 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.6 m80 -59.48 -40.16 86.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.704 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.68 -39.33 91.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.142 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.98 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.221 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' C' ' 103' ' ' ALA . 42.0 mt -63.6 -40.58 97.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 58.83 -72.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.455 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' C' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.223 -0.329 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.536 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.929 0.871 . . . . 0.0 108.893 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.84 143.09 36.62 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 107.105 -1.442 . . . . 0.0 107.105 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.35 38.59 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.946 -1.096 . . . . 0.0 109.581 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.17 149.16 28.46 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.29 18.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.051 -1.031 . . . . 0.0 108.408 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.82 144.37 19.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.55 37.09 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 122.143 0.973 . . . . 0.0 110.119 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.38 25.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.9 -4.3 19.31 Favored 'General case' 0 C--N 1.266 -3.044 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.78 85.68 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 119.774 -1.829 . . . . 0.0 110.597 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.44 -47.74 12.66 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 124.71 3.607 . . . . 0.0 114.142 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.586 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 96.4 m-20 -102.1 27.56 6.53 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 116.076 -2.25 . . . . 0.0 108.81 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.36 -124.16 24.42 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 117.699 -2.191 . . . . 0.0 109.58 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.717 HD11 HD23 ' D' ' 384' ' ' LEU . 3.0 tp -129.71 81.24 2.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.939 -1.33 . . . . 0.0 109.568 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -85.95 176.61 7.96 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 117.933 -1.507 . . . . 0.0 112.09 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.533 HG23 ' O1 ' ' D' ' 200' ' ' PO3 . 67.0 p -25.68 -62.78 0.07 Allowed 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -176.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.563 HH21 ' NE2' ' A' ' 17' ' ' GLN . 18.0 ttt180 -51.4 -65.0 1.07 Allowed Pre-proline 0 N--CA 1.494 1.748 0 C-N-CA 120.096 -0.642 . . . . 0.0 112.514 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.61 -32.19 58.66 Favored 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 121.9 1.733 . . . . 0.0 111.495 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.508 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.84 86.75 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.16 -0.963 . . . . 0.0 109.524 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.508 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.92 -39.74 72.51 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.91 -39.48 94.26 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 118.003 -1.479 . . . . 0.0 109.459 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.68 -45.33 93.28 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 122.609 1.195 . . . . 0.0 108.66 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.61 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.9 t -62.61 -42.27 95.31 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.733 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.421 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 96.5 mttt -63.79 -40.35 96.44 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.794 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.58 79.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.446 -0.784 . . . . 0.0 109.586 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.0 91.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.582 -1.324 . . . . 0.0 109.427 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . 0.61 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.9 mttp -61.33 -16.25 44.02 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.293 -0.879 . . . . 0.0 113.31 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.62 86.06 Favored Glycine 0 N--CA 1.48 1.58 0 O-C-N 119.873 -1.767 . . . . 0.0 109.301 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.34 32.82 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.321 -1.694 . . . . 0.0 110.077 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.55 -30.12 59.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.243 -0.91 . . . . 0.0 112.361 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.65 158.57 9.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 119.819 -1.8 . . . . 0.0 112.857 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.37 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 102.861 -3.014 . . . . 0.0 102.861 171.194 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.62 60.27 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 CA-C-O 122.194 0.997 . . . . 0.0 109.316 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.4 m -124.94 143.12 51.04 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-O 123.125 1.44 . . . . 0.0 109.968 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.4 t -108.11 129.95 61.47 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.697 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 173.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.6 m -127.45 119.62 26.53 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.914 -1.116 . . . . 0.0 108.939 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.65 39.38 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.542 -0.723 . . . . 0.0 109.846 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.73 38.93 24.23 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.917 -1.114 . . . . 0.0 112.779 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 10.96 83.59 Favored Glycine 0 N--CA 1.501 2.979 0 O-C-N 119.982 -1.699 . . . . 0.0 112.63 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.85 136.18 54.58 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.74 158.51 33.09 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.743 1.735 . . . . 0.0 112.44 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.42 31.44 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 112.484 -2.143 . . . . 0.0 108.572 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.2 t -70.58 135.94 48.87 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 173.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.0 -6.71 47.25 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.681 -1.262 . . . . 0.0 110.766 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.55 13.04 31.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.698 -1.251 . . . . 0.0 109.396 -177.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 97.5 p -133.16 104.17 6.37 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.25 1.024 . . . . 0.0 110.148 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.412 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.0 tp -57.31 -37.78 73.01 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.943 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -58.88 -51.42 70.1 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.561 -1.337 . . . . 0.0 113.099 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.0 -32.41 70.58 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 119.561 -1.962 . . . . 0.0 109.272 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.79 -33.77 75.88 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 118.995 -1.082 . . . . 0.0 109.916 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.532 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.71 -10.36 51.79 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.607 -0.683 . . . . 0.0 109.942 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 37.6 p -89.79 -7.81 53.56 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 118.174 -1.41 . . . . 0.0 110.854 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.34 159.26 15.34 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.185 -0.947 . . . . 0.0 110.202 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.63 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 106.939 -2.464 . . . . 0.0 106.939 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 87.5 mt -119.55 47.39 1.72 Allowed 'General case' 0 C--N 1.309 -1.165 0 O-C-N 120.69 -1.477 . . . . 0.0 107.426 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.911 HG22 HG21 ' C' ' 56' ' ' THR . 4.6 p -81.45 172.57 13.36 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 118.843 -1.143 . . . . 0.0 109.22 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -60.74 140.97 57.37 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.835 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.19 79.11 Favored Glycine 0 N--CA 1.5 2.966 0 C-N-CA 120.069 -1.063 . . . . 0.0 111.38 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.45 136.0 34.02 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.959 -1.318 . . . . 0.0 110.629 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.8 t -96.59 123.68 48.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.15 160.08 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.271 0 C-N-CA 117.451 -1.7 . . . . 0.0 110.647 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.93 128.35 54.85 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 120.562 -1.336 . . . . 0.0 107.567 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.83 121.45 60.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.421 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.23 50.71 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.54 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.41 47.11 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 118.506 -1.278 . . . . 0.0 109.778 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.82 6.43 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 118.524 -1.27 . . . . 0.0 108.049 178.233 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.28 40.09 Favored Glycine 0 C--N 1.296 -1.654 0 C-N-CA 117.994 -2.051 . . . . 0.0 110.355 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.39 -40.62 82.86 Favored 'General case' 0 C--N 1.275 -2.634 0 CA-C-N 114.388 -0.906 . . . . 0.0 112.195 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.08 36.77 3.56 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 115.883 -2.327 . . . . 0.0 108.591 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.48 65.75 Favored 'General case' 0 N--CA 1.521 3.1 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -174.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.471 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.93 -45.66 27.03 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 119.481 -2.012 . . . . 0.0 110.953 -176.56 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.799 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.71 97.75 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.42 77.93 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 117.422 -1.711 . . . . 0.0 110.043 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.3 t -66.87 -42.22 88.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-O 122.204 1.002 . . . . 0.0 109.263 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.82 -47.94 76.3 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-O 122.109 0.956 . . . . 0.0 108.775 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.799 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.36 76.73 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.754 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' D' ' 377' ' ' LEU . 81.0 mt -75.54 -28.65 59.15 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.283 -1.51 . . . . 0.0 110.897 -174.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.49 70.99 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.413 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.16 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.15 84.53 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 119.009 -1.076 . . . . 0.0 110.546 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.37 -37.44 85.71 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.94 -1.1 . . . . 0.0 111.534 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.73 61.65 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.093 -1.004 . . . . 0.0 110.298 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.97 -32.28 45.27 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.454 -0.779 . . . . 0.0 111.282 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.717 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.05 125.52 12.32 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 124.367 2.032 . . . . 0.0 112.842 178.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.4 tt0 . . . . . 0 C--N 1.277 -2.562 0 CA-C-N 111.14 -2.754 . . . . 0.0 110.089 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.614 ' O3 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -61.32 -38.1 85.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.51 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 6' ' ' GLU . 49.8 tp10 -58.57 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.51 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 8' ' ' VAL . 57.2 mt -38.38 -37.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.486 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -63.38 -48.79 76.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.905 0.383 . . . . 1.9399999999999999 110.256 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.7 tt0 -68.0 -36.39 79.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.281 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.458 HG11 HD11 ' A' ' 58' ' ' LEU . 72.0 t -63.73 -43.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 4' ' ' LEU . 87.8 t -60.77 -44.84 98.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.993 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.22 -41.29 88.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.531 -0.544 . . . . 0.17999999999999999 109.531 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.1 -42.48 96.56 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 11' ' ' LEU . 34.4 mt -63.38 -42.89 98.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.156 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.12 -44.4 99.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.537 . . . . 0.20000000000000001 109.71 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' HD2' ' D' ' 324' ' ' LYS . 86.8 mt -63.82 -44.17 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.039 -0.528 . . . . 0.01 109.916 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.501 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 47.2 t-20 -60.34 -45.98 91.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.859 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p -61.15 -42.97 99.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.95 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.551 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.48 -43.65 97.85 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -61.94 -42.96 99.7 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.4 -49.12 78.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.891 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.88 -46.05 92.16 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -55.81 -44.25 77.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.97 -42.0 98.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.693 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.556 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.57 -48.16 80.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.397 0.618 . . . . 0.0 109.336 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -60.21 -41.76 93.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.64 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.65 95.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.768 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -43.16 88.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.648 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.4 -45.52 93.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.465 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -55.2 -43.25 74.23 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.5 mt-30 -61.55 -41.51 97.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.773 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.93 93.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.697 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.55 -28.98 69.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.109 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.32 -4.75 54.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.471 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.41 15.03 67.2 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -98.68 78.68 2.37 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.244 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -64.82 -34.73 79.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.678 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.35 79.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.069 0.461 . . . . 0.0 110.729 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -65.17 -35.21 80.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.321 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.69 82.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.62 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.71 -42.51 99.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.586 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.76 98.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.79 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.79 -42.11 91.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.482 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.581 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.8 mtm -63.77 -40.3 96.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.63 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.65 -44.77 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.978 0.418 . . . . 0.0 110.447 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -64.06 -40.87 97.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.167 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.4 t -61.21 -45.95 92.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.576 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -60.25 -42.04 94.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.38 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -61.95 -41.57 98.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.214 0.531 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.41 99.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.22 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.83 -39.76 91.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.642 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -60.92 -41.71 96.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.283 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.25 -39.72 93.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.215 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.29 -43.41 81.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.448 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -63.23 -37.94 89.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.089999999999999997 110.407 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.1 mt -61.18 -44.46 97.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.368 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.2 -43.58 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 0.0 109.972 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.753 HE21 ' NE2' ' A' ' 78' ' ' GLN . 1.0 OUTLIER -59.95 -42.81 94.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.273 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.582 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 82.2 m -57.49 -42.6 83.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.059999999999999998 110.006 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.68 -39.29 93.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.531 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.458 HD11 HG11 ' A' ' 7' ' ' VAL . 96.2 mt -62.96 -28.43 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.459 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 96.3 mt -86.0 -30.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.099 -0.5 . . . . 0.050000000000000003 110.858 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -81.35 -10.88 59.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.98 -163.71 0.19 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -84.37 111.73 19.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.64 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.18 142.43 50.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.473 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.68 149.75 50.84 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.32 130.11 41.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.755 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.42 -15.42 61.2 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -78.82 139.41 38.37 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.703 0.287 . . . . 0.0 110.481 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.4 mtp -87.43 -73.81 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.648 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' NZ ' ' OE2' ' B' ' 5' ' ' GLU . 68.6 mmtt -95.08 -112.98 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.881 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 71' ' ' SER . 32.8 m -93.34 -143.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.657 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.513 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.3 p -132.72 167.35 20.28 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.2 -43.75 83.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.645 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.534 ' CG1' HG21 ' A' ' 8' ' ' VAL . 77.8 t -62.83 -45.08 99.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.882 0.372 . . . . 0.0 110.577 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.97 -38.85 90.08 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.009 0.433 . . . . 0.11 110.931 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 71' ' ' SER . 64.7 t -58.54 -47.38 88.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.762 -0.654 . . . . 0.38 110.182 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -57.36 -44.23 84.21 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.357 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.81 98.73 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.483 -0.326 . . . . 0.059999999999999998 110.602 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.753 ' NE2' HE21 ' A' ' 55' ' ' GLN . 92.8 mm-40 -61.28 -41.04 96.28 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.212 -0.449 . . . . 1.0900000000000001 110.16 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 83' ' ' THR . 47.4 tp -58.26 -44.4 88.36 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.447 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.674 ' CE1' ' O1 ' ' D' ' 200' ' ' PO3 . 53.5 m170 -68.1 -49.09 63.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.323 -0.398 . . . . 0.080000000000000002 110.738 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.65 -45.65 93.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.788 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.43 -43.3 99.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.165 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.3 p -64.26 -46.73 82.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.111 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -62.65 -49.95 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.472 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.43 -48.55 78.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.486 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.47 -44.79 96.48 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.066 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.08 82.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.825 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -58.1 -46.32 85.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.101 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -60.78 -43.56 97.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.012 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.39 -42.62 96.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.163 0.506 . . . . 0.0 109.882 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.556 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.2 mt -60.42 -42.32 90.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.289 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.9 m -57.89 -45.92 85.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.884 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.509 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.6 mt-10 -63.22 -42.64 99.29 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.27 -42.45 95.4 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.581 HD12 ' SD ' ' A' ' 41' ' ' MET . 84.7 mt -60.96 -43.04 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.501 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.27 -38.49 89.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.118 0.485 . . . . 0.0 109.712 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 97' ' ' LEU . 41.2 mt -62.22 -41.99 98.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.872 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -60.65 -40.05 90.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 102' ' ' LYS . 84.6 tt0 -63.36 -38.04 89.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.141 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -65.06 -40.39 94.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.188 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.7 -42.09 98.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.418 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.4 mttt -91.33 145.06 24.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.818 -1.087 . . . . 0.0 110.502 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -61.31 -38.15 85.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.603 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' B' ' 6' ' ' GLU . 50.1 tp10 -58.62 -78.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.491 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.728 ' O ' HG23 ' B' ' 8' ' ' VAL . 57.8 mt -38.58 -37.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.544 ' OE2' ' NZ ' ' A' ' 69' ' ' LYS . 51.0 tp10 -63.32 -48.83 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.893 0.378 . . . . 1.9399999999999999 110.402 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.1 tt0 -67.87 -36.33 80.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.219 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.479 HG11 HD11 ' B' ' 58' ' ' LEU . 73.2 t -63.89 -43.08 97.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.436 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.728 HG23 ' O ' ' B' ' 4' ' ' LEU . 88.2 t -60.8 -44.87 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.884 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.5 mtp -59.21 -41.35 88.4 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.563 -0.532 . . . . 0.17999999999999999 109.563 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.96 -42.64 96.74 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 11' ' ' LEU . 34.3 mt -63.38 -42.81 98.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 0.0 110.331 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.28 -44.2 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.28999999999999998 109.685 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.86 -44.24 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.02 109.941 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.49 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 47.9 t-20 -60.32 -45.93 91.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.852 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -61.05 -42.96 99.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.163 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.48 -43.29 98.38 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.18 -43.02 99.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.63 80.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.84 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.21 -45.67 93.6 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.6 m -56.21 -44.16 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.1 -41.74 98.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.737 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.84 -48.2 80.47 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.462 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.2 m-85 -60.09 -42.04 93.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.63 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.57 93.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.797 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.92 89.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.629 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.79 -45.4 94.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.379 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -55.54 -43.15 75.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.439 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.6 mt-30 -61.52 -40.89 96.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.852 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.64 96.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.675 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.87 -29.03 69.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.052 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.38 -4.8 54.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.65 14.94 66.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.55 78.79 2.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.76 0.314 . . . . 0.0 110.374 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -64.97 -34.74 79.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.606 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.45 79.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.111 0.481 . . . . 0.0 110.768 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.439 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.22 -34.82 79.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.422 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.73 81.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.529 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.51 -42.73 99.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.583 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.0 98.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.651 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.73 -42.27 91.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.589 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.5 mtm -63.64 -40.44 96.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.555 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.47 -44.77 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.923 0.392 . . . . 0.0 110.458 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.01 -40.73 97.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.297 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -61.65 -45.59 93.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.44 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -60.41 -41.95 94.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.248 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.92 -41.88 98.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.277 0.561 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.23 99.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.115 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 48' ' ' LEU . 91.0 mt -65.95 -39.67 90.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.728 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.01 -41.6 96.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.335 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.38 -39.69 92.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.49 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.39 -42.96 82.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.441 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.78 -37.67 88.24 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.089999999999999997 110.271 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 53' ' ' LEU . 40.3 mt -61.26 -44.25 97.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.371 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.68 -43.1 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.009 0.433 . . . . 0.0 110.044 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.775 HE21 ' NE2' ' B' ' 78' ' ' GLN . 1.0 OUTLIER -60.23 -42.72 95.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.227 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.569 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 86.3 m -57.68 -42.96 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.059999999999999998 110.009 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.26 -39.11 91.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.929 0.395 . . . . 0.0 110.562 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.479 HD11 HG11 ' B' ' 7' ' ' VAL . 96.2 mt -63.4 -28.04 69.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.757 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' NE2' ' B' ' 55' ' ' GLN . 96.4 mt -86.24 -30.7 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.546 . . . . 0.040000000000000001 110.746 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.94 -10.79 59.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.58 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.03 -164.47 0.22 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -84.02 111.16 19.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.826 0.346 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.72 143.21 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.399 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.7 149.87 49.99 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.53 130.11 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.46 61.01 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -78.89 140.41 38.12 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.631 0.253 . . . . 0.0 110.432 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 99.7 mtp -88.51 -73.74 0.48 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.622 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.549 ' NZ ' ' OE2' ' C' ' 5' ' ' GLU . 68.7 mmtt -95.3 -112.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.841 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.4 m -91.72 -144.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.735 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.497 ' O ' HG23 ' B' ' 75' ' ' VAL . 93.4 p -132.53 168.49 18.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.516 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.24 -43.24 92.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.548 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.515 ' CG1' HG21 ' B' ' 8' ' ' VAL . 79.2 t -62.46 -44.63 99.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.576 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.09 -38.47 88.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.122 0.487 . . . . 0.11 110.95 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 71' ' ' SER . 64.8 t -58.81 -47.19 90.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.804 -0.634 . . . . 0.38 110.302 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.467 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 11.5 t-160 -57.39 -44.21 84.3 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.863 -0.335 . . . . 1.1100000000000001 110.303 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.88 98.66 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.843 0.354 . . . . 0.059999999999999998 110.4 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.775 ' NE2' HE21 ' B' ' 55' ' ' GLN . 92.3 mm-40 -61.3 -40.82 95.58 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.0900000000000001 110.234 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 83' ' ' THR . 48.2 tp -58.54 -44.55 89.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.419 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.467 ' CE1' ' NE2' ' B' ' 76' ' ' HIS . 52.9 m170 -67.96 -48.77 64.95 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.732 -0.387 . . . . 0.080000000000000002 110.729 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.02 -45.46 93.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.879 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.43 -43.01 99.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.253 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.514 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.4 p -64.73 -46.26 82.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.49 -50.16 72.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.5 -48.53 79.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.486 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.5 -44.51 96.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.067 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.97 83.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.893 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -58.36 -46.0 87.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.225 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.44 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.3 mt-10 -60.89 -43.56 98.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.167 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.37 -42.56 96.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.188 0.518 . . . . 0.0 110.003 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.576 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.2 mt -60.58 -42.48 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.251 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -57.64 -46.0 84.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.099 0.476 . . . . 0.0 109.842 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.518 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.6 mt-10 -63.29 -42.35 99.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.456 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.509 HD13 ' OE1' ' A' ' 93' ' ' GLU . 79.5 mt -60.44 -42.72 96.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.589 HD12 ' SD ' ' B' ' 41' ' ' MET . 85.8 mt -60.8 -43.0 94.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.533 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.12 -38.69 89.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.721 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 97' ' ' LEU . 40.4 mt -62.27 -41.73 98.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.797 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -60.79 -39.98 90.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.732 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' B' ' 102' ' ' LYS . 84.7 tt0 -63.24 -38.49 91.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.1 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.79 -40.22 94.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.149 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt -63.83 -42.17 97.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.396 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.5 mttt -91.46 145.2 24.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.386 0 CA-C-O 117.915 -1.04 . . . . 0.0 110.498 -179.783 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -61.5 -37.44 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' C' ' 6' ' ' GLU . 50.3 tp10 -59.31 -78.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.735 ' O ' HG23 ' C' ' 8' ' ' VAL . 57.1 mt -38.61 -37.36 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.454 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . 0.549 ' OE2' ' NZ ' ' B' ' 69' ' ' LYS . 50.9 tp10 -63.21 -49.03 75.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.816 0.341 . . . . 1.9399999999999999 110.382 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.2 tt0 -67.5 -36.59 81.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.334 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.474 HG11 HD11 ' C' ' 58' ' ' LEU . 71.6 t -63.57 -42.83 97.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.735 HG23 ' O ' ' C' ' 4' ' ' LEU . 86.8 t -61.27 -44.61 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.972 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.7 mtp -59.59 -41.04 89.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.562 -0.533 . . . . 0.17999999999999999 109.562 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.16 -42.62 96.36 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' C' ' 11' ' ' LEU . 34.6 mt -63.12 -43.05 99.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 110.34 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.15 -44.34 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.29999999999999999 109.699 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.51 -44.33 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.02 110.055 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.502 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 47.9 t-20 -60.17 -46.35 89.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.818 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.0 p -60.6 -43.07 97.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.176 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.45 -43.7 97.81 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -61.92 -42.94 99.67 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -49.03 78.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.784 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -61.12 -45.57 94.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -56.33 -44.49 80.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.58 -41.67 97.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.709 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.82 -48.28 80.2 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.44 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.5 m-85 -60.25 -41.85 94.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.567 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.38 94.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.72 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.94 89.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.616 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.67 -45.28 94.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.468 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -55.68 -43.1 76.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.539 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.6 mt-30 -61.66 -40.62 95.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.182 0.515 . . . . 0.0 110.025 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.75 96.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.796 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.97 -28.91 69.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.07 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.32 -4.64 54.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.453 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.36 15.0 67.38 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.7 78.15 2.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.752 0.31 . . . . 0.0 110.223 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -64.34 -35.08 79.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.56 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.22 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.067 0.461 . . . . 0.0 110.745 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . 0.445 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.36 -34.37 78.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.43 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.58 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.491 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.28 -43.23 99.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.557 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.11 -41.82 99.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mmm -65.81 -42.14 91.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.567 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.1 mtm -63.79 -40.56 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.68 -44.51 96.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.441 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.98 -40.97 97.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.273 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 42.7 t -61.52 -45.32 94.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -60.64 -41.82 95.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.281 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.02 -41.82 98.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.384 0.611 . . . . 0.0 110.552 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.65 99.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.316 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 48' ' ' LEU . 91.5 mt -65.64 -39.89 91.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.04 -41.52 96.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.379 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.24 -40.08 93.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 109.963 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.502 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.99 -43.46 82.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.467 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -63.14 -37.75 88.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.089999999999999997 110.332 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -61.61 -43.92 97.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.317 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.76 -43.26 93.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.056 0.455 . . . . 0.0 109.99 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.75 HE21 ' NE2' ' C' ' 78' ' ' GLN . 1.1 tm0? -60.29 -42.8 96.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.223 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.967 HG21 HG22 ' D' ' 356' ' ' THR . 90.1 m -57.6 -42.5 83.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.059999999999999998 110.161 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.78 -38.98 92.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.911 0.386 . . . . 0.0 110.529 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.474 HD11 HG11 ' C' ' 7' ' ' VAL . 96.3 mt -63.33 -27.97 69.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.79 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.462 ' CD1' ' NE2' ' C' ' 55' ' ' GLN . 96.3 mt -86.29 -30.73 6.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.569 . . . . 0.059999999999999998 110.863 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.519 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.7 mm-40 -81.04 -10.67 59.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.44 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.15 -164.08 0.22 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -84.32 111.24 19.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.771 0.32 . . . . 0.0 110.526 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.58 142.8 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.31 149.9 50.4 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.53 130.39 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.554 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.27 -15.6 61.11 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -78.47 140.04 38.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.624 0.249 . . . . 0.0 110.58 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 99.7 mtp -88.3 -73.44 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.569 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -95.59 -113.01 0.13 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 33.4 m -91.3 -145.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.733 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.513 ' O ' HG23 ' C' ' 75' ' ' VAL . 97.9 p -131.83 170.99 14.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.464 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.94 -43.85 94.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.708 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.479 ' CG1' HG21 ' C' ' 8' ' ' VAL . 76.8 t -63.16 -44.87 99.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 130.111 3.364 . . . . 0.0 110.532 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.15 -38.6 91.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.086 0.47 . . . . 0.11 110.979 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.513 HG23 ' O ' ' C' ' 71' ' ' SER . 65.7 t -58.82 -47.74 88.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.842 -0.617 . . . . 0.40000000000000002 110.203 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.459 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 11.3 t-160 -57.58 -43.89 84.92 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.907 -0.317 . . . . 1.02 110.388 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.09 98.58 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.371 . . . . 0.059999999999999998 110.384 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.75 ' NE2' HE21 ' C' ' 55' ' ' GLN . 92.3 mm-40 -61.07 -41.03 95.86 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.301 -0.409 . . . . 1.0900000000000001 110.258 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.522 ' O ' HG23 ' C' ' 83' ' ' THR . 46.0 tp -58.13 -44.59 87.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.483 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.459 ' CE1' ' NE2' ' C' ' 76' ' ' HIS . 52.5 m170 -68.13 -48.74 64.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.292 -0.413 . . . . 0.080000000000000002 110.764 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.95 -45.51 93.33 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.809 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.3 mmm -61.36 -43.27 99.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.377 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.522 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.9 p -64.25 -46.85 81.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.255 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.16 -50.29 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.553 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.3 -48.7 78.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.489 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.24 -44.86 96.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.157 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.11 82.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.944 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -58.23 -45.99 86.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.282 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.61 -43.77 97.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.195 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.41 -42.63 95.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.199 0.523 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.576 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.2 mt -60.36 -42.64 91.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.375 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 87.1 m -57.39 -46.11 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.102 0.477 . . . . 0.0 109.996 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.22 -42.65 99.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.501 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.518 HD13 ' OE1' ' B' ' 93' ' ' GLU . 79.5 mt -60.04 -42.62 94.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.567 HD12 ' SD ' ' C' ' 41' ' ' MET . 84.4 mt -60.91 -43.14 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.624 179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.9 -38.58 88.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.746 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' C' ' 97' ' ' LEU . 40.4 mt -62.28 -41.65 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.869 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -60.95 -39.98 91.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' C' ' 102' ' ' LYS . 84.0 tt0 -63.29 -38.58 91.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.052 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.49 -40.29 95.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.233 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.88 -42.38 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.361 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.4 mttt -91.02 145.04 25.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.457 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.559 179.885 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 121.892 0.853 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.85 142.98 36.55 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.28 38.56 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.07 -1.019 . . . . 0.0 109.586 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.3 mm-40 -152.14 149.22 28.54 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.3 152.34 18.98 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.012 -1.055 . . . . 0.0 108.368 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.41 19.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.78 136.54 37.18 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.146 0.974 . . . . 0.0 110.104 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.93 114.26 24.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.87 -4.25 19.42 Favored 'General case' 0 C--N 1.265 -3.088 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.82 85.81 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 119.685 -1.884 . . . . 0.0 110.597 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.52 -47.68 12.92 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 124.734 3.623 . . . . 0.0 114.156 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.11 27.52 6.57 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 116.047 -2.261 . . . . 0.0 108.829 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.61 -126.97 28.14 Favored Glycine 0 N--CA 1.497 2.745 0 C-N-CA 117.611 -2.233 . . . . 0.0 109.537 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.756 HD11 HD23 ' D' ' 384' ' ' LEU . 3.5 tp -127.7 78.08 1.8 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.985 -1.303 . . . . 0.0 109.501 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.41 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.6 OUTLIER -85.38 177.12 7.91 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 117.899 -1.521 . . . . 0.0 112.124 -179.02 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.511 ' OG1' ' O1 ' ' D' ' 200' ' ' PO3 . 41.1 p -23.02 -70.47 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.551 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.6 ttt-85 -45.97 -65.83 0.61 Allowed Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.444 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.1 -32.17 64.19 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.95 1.767 . . . . 0.0 111.53 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.499 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.87 86.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.225 -0.922 . . . . 0.0 109.471 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.68 72.49 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.91 -39.39 94.07 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.034 -1.467 . . . . 0.0 109.493 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.7 -45.31 93.36 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.662 1.22 . . . . 0.0 108.683 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.609 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 58.6 t -62.67 -42.3 95.54 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.624 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.402 ' HD2' HD13 ' A' ' 13' ' ' ILE . 76.7 mttt -63.85 -40.23 96.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.204 -0.935 . . . . 0.0 109.818 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.526 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.75 -39.75 80.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.508 -0.745 . . . . 0.0 109.547 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.0 91.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.598 -1.314 . . . . 0.0 109.393 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . 0.609 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.6 mttp -61.33 -16.26 44.16 Favored 'General case' 0 N--CA 1.511 2.575 0 O-C-N 121.32 -0.862 . . . . 0.0 113.313 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.53 86.06 Favored Glycine 0 N--CA 1.479 1.526 0 O-C-N 119.921 -1.737 . . . . 0.0 109.41 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.422 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.52 143.37 32.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.241 -1.74 . . . . 0.0 109.984 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.5 p -75.68 -30.03 59.23 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.267 -0.895 . . . . 0.0 112.275 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.71 158.48 10.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.826 -1.796 . . . . 0.0 112.834 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.585 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.2 35.34 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 102.878 -3.008 . . . . 0.0 102.878 171.221 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.67 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.435 0 O-C-N 121.107 -0.996 . . . . 0.0 109.313 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.98 143.18 51.03 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-O 123.095 1.426 . . . . 0.0 109.979 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.1 t -108.02 129.96 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 173.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.4 m -127.54 119.54 26.23 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.894 -1.128 . . . . 0.0 108.928 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.55 39.16 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 119.941 -0.703 . . . . 0.0 109.966 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.82 38.9 24.49 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.895 -1.128 . . . . 0.0 112.7 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.76 10.95 83.52 Favored Glycine 0 N--CA 1.503 3.123 0 O-C-N 119.975 -1.703 . . . . 0.0 112.515 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.84 136.26 54.55 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.8 158.55 33.08 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.805 1.764 . . . . 0.0 112.335 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.35 31.33 Favored 'General case' 0 C--N 1.279 -2.459 0 CA-C-N 112.453 -2.158 . . . . 0.0 108.598 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.57 135.98 48.91 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.434 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.02 -6.79 47.81 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.697 -1.252 . . . . 0.0 110.686 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.5 13.0 31.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.614 -1.304 . . . . 0.0 109.391 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.6 t -133.08 104.18 6.39 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.208 1.004 . . . . 0.0 110.152 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.24 -37.92 73.01 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.006 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -58.82 -51.45 69.94 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.63 -1.294 . . . . 0.0 113.034 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.54 70.77 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 119.505 -1.997 . . . . 0.0 109.178 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.72 -33.69 75.64 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.002 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.519 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.78 -10.37 52.18 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.657 -0.652 . . . . 0.0 109.932 -177.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.0 p -89.82 -7.73 53.68 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 118.081 -1.448 . . . . 0.0 110.937 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.6 mt -93.31 159.34 15.31 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.226 -0.921 . . . . 0.0 110.215 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 106.927 -2.469 . . . . 0.0 106.927 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . 0.44 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.2 mt -119.57 47.38 1.72 Allowed 'General case' 0 C--N 1.308 -1.202 0 O-C-N 120.703 -1.469 . . . . 0.0 107.343 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.967 HG22 HG21 ' C' ' 56' ' ' THR . 72.1 p -81.4 172.48 13.49 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.274 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.63 140.88 57.26 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.936 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.22 79.09 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 120.024 -1.084 . . . . 0.0 111.411 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.41 135.86 34.1 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.957 -1.319 . . . . 0.0 110.698 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.42 123.73 48.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.1 m -112.18 160.09 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 117.404 -1.718 . . . . 0.0 110.614 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.88 128.44 54.92 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.506 -1.371 . . . . 0.0 107.58 175.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.84 121.44 60.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 176.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.22 50.72 Favored 'General case' 0 C--N 1.284 -2.248 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.36 47.14 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.556 -1.258 . . . . 0.0 109.769 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.78 6.43 Favored 'General case' 0 C--N 1.288 -2.066 0 C-N-CA 118.57 -1.252 . . . . 0.0 108.025 178.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.39 40.14 Favored Glycine 0 C--N 1.295 -1.703 0 C-N-CA 118.023 -2.036 . . . . 0.0 110.359 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.27 -40.65 82.43 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 114.388 -0.906 . . . . 0.0 112.243 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.03 36.81 3.53 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 115.856 -2.337 . . . . 0.0 108.555 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.27 -33.66 65.7 Favored 'General case' 0 N--CA 1.522 3.157 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.467 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.57 27.58 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.624 -1.922 . . . . 0.0 111.003 -176.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.811 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.79 98.01 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.51 77.6 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 117.468 -1.693 . . . . 0.0 110.037 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.87 -42.2 88.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.223 1.011 . . . . 0.0 109.275 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.87 -47.96 76.41 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-O 122.083 0.944 . . . . 0.0 108.68 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.811 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.84 -38.22 76.44 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.686 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.5 mt -75.62 -28.65 58.92 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.404 -1.435 . . . . 0.0 110.859 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.59 71.45 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.455 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.84 -49.33 62.76 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.526 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.21 -45.18 84.06 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.044 -1.062 . . . . 0.0 110.56 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.35 85.42 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.877 -1.139 . . . . 0.0 111.545 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.88 61.71 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.041 -1.037 . . . . 0.0 110.27 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.81 -32.39 46.27 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.459 -0.776 . . . . 0.0 111.325 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.756 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.09 125.41 12.15 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 124.327 2.013 . . . . 0.0 112.874 178.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.8 mt-10 . . . . . 0 C--N 1.278 -2.527 0 CA-C-N 111.11 -2.768 . . . . 0.0 110.155 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.674 ' O1 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -57.95 -37.58 74.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 6' ' ' GLU . 83.5 tt0 -61.72 -70.52 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 8' ' ' VAL . 57.8 mt -37.96 -38.97 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.444 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.42 -47.25 79.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.948 0.404 . . . . 1.9399999999999999 110.314 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.5 mt-10 -66.56 -35.5 80.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.284 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.32 -42.4 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 4' ' ' LEU . 88.3 t -60.4 -44.27 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.947 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.8 -41.77 87.52 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.534 -0.543 . . . . 0.17999999999999999 109.534 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.94 -42.1 98.43 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.93 -42.59 99.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.869 0.366 . . . . 0.0 110.242 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.09 -43.92 99.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.02 -0.536 . . . . 0.20000000000000001 109.763 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.433 HD11 ' HB1' ' D' ' 320' ' ' ALA . 86.1 mt -63.53 -43.98 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.004 -0.544 . . . . 0.01 109.967 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -60.81 -45.61 93.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.751 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -60.58 -43.95 96.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.946 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.571 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.11 -42.71 99.45 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.19 -43.11 99.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.575 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.09 -49.49 76.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -60.49 -45.82 92.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -55.51 -44.49 76.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.32 -42.5 98.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.651 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.557 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.5 -50.33 74.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.7 -41.83 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.607 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.87 95.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -42.51 80.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.68 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.85 -44.91 96.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.457 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.4 -41.46 76.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.18 -43.67 98.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.831 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.61 93.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.647 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' NZ ' ' NE2' ' A' ' 98' ' ' HIS . 69.2 mmtt -61.11 -29.52 69.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.188 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -82.0 -3.89 55.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.497 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.91 15.93 73.86 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -96.79 81.11 3.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.78 0.324 . . . . 0.0 110.292 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -64.6 -34.95 79.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.669 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.51 83.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.032 0.444 . . . . 0.0 110.754 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.85 81.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.388 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.62 79.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.576 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -61.7 -42.59 99.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.638 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.52 99.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.8 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -64.86 -40.68 95.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.2 mmt -62.02 -41.49 98.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.665 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.48 -43.61 98.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.4 . . . . 0.0 110.493 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -65.36 -41.26 94.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.172 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.77 -46.23 90.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -60.62 -42.04 96.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.316 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.38 -43.66 98.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.233 0.539 . . . . 0.0 110.608 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.05 97.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.25 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.575 HD21 ' CB ' ' A' ' 18' ' ' ALA . 87.5 mt -64.7 -40.5 95.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.609 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.414 HD22 ' HA ' ' A' ' 49' ' ' ASN . 8.1 m120 -61.05 -41.85 97.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.267 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.67 -40.61 92.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.187 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.3 78.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.501 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -60.7 -39.29 87.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.089999999999999997 110.345 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.6 mt -60.4 -44.29 95.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.341 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.57 -43.27 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.096 0.474 . . . . 0.0 110.037 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.676 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -59.67 -44.44 93.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.241 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -56.75 -42.5 79.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.059999999999999998 110.107 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.57 -38.95 89.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.496 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.78 -32.7 74.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.687 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.614 HD11 ' OE1' ' A' ' 55' ' ' GLN . 76.8 mt -77.3 -32.23 18.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.033 -0.53 . . . . 0.050000000000000003 110.864 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -80.85 -18.36 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.21 -20.23 26.06 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -93.61 -23.52 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.599 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.98 93.66 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.52 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.485 ' H ' ' HB3' ' A' ' 67' ' ' LYS . . . -92.08 177.66 39.94 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.49 111.75 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.649 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.88 1.51 87.39 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' H ' ' A' ' 64' ' ' GLY . 88.6 tttt -94.61 142.05 27.9 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.741 0.305 . . . . 0.0 110.414 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 68' ' ' MET . 4.5 mpp? -66.7 140.71 57.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.546 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -89.22 -6.55 56.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.4 t -99.99 117.07 44.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.719 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.587 ' O ' HG23 ' A' ' 75' ' ' VAL . 87.1 p -129.48 162.54 27.9 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 72' ' ' LEU . 35.2 mt -57.4 -45.94 84.02 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.609 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.563 HG13 HG21 ' A' ' 8' ' ' VAL . 72.1 t -64.24 -47.44 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-O 120.946 0.403 . . . . 0.0 110.621 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.676 ' CD2' HE22 ' A' ' 55' ' ' GLN . 83.3 mt -63.66 -42.08 98.12 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.168 -0.469 . . . . 0.11 110.903 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 71' ' ' SER . 53.5 t -59.86 -47.54 91.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.735 -0.666 . . . . 0.38 110.285 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -59.09 -45.5 90.68 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.294 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.81 94.77 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.752 0.311 . . . . 0.059999999999999998 110.682 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.43 -40.06 95.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 1.0900000000000001 110.156 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 83' ' ' THR . 46.8 tp -56.42 -47.48 78.95 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.406 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.58 ' NE2' ' O3 ' ' D' ' 200' ' ' PO3 . 42.9 m80 -67.95 -46.24 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 0.080000000000000002 110.716 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.6 mt -60.74 -46.52 90.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.82 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.52 -42.71 99.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.205 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.5 p -64.35 -46.63 82.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.058 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.14 -49.41 75.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.49 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -58.05 -47.59 82.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.505 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.98 -44.6 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.058 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.4 80.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.82 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -58.06 -45.26 87.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.088 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.6 mt-10 -61.7 -43.62 98.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.04 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.22 -43.08 92.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.193 0.521 . . . . 0.0 109.861 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.557 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.2 mt -60.84 -42.59 93.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.249 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -57.95 -45.57 86.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 109.876 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.552 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.3 mt-10 -64.14 -43.49 95.05 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 70.8 mt -59.15 -43.83 92.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.0 -42.69 94.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.47 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.92 -40.43 93.13 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.29 -42.25 99.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.86 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.571 ' NE2' ' NZ ' ' A' ' 30' ' ' LYS . 67.4 m80 -60.2 -39.88 88.12 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.511 ' O ' ' O ' ' A' ' 102' ' ' LYS . 83.1 tt0 -61.84 -40.96 97.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.214 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.57 -38.01 88.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.217 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.3 -42.5 96.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.448 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.511 ' O ' ' O ' ' A' ' 99' ' ' GLU . 54.5 mtmt -96.59 142.25 28.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.512 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.545 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -57.92 -37.61 74.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 6' ' ' GLU . 84.7 tt0 -61.64 -70.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.496 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.613 ' O ' HG23 ' B' ' 8' ' ' VAL . 59.0 mt -38.09 -39.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.3 -47.13 80.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.94 0.4 . . . . 1.9399999999999999 110.387 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt-10 -66.49 -35.64 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.229 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.39 -42.12 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.32 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.613 HG23 ' O ' ' B' ' 4' ' ' LEU . 85.7 t -60.69 -44.35 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.863 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.85 -41.96 88.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.55 -0.537 . . . . 0.17999999999999999 109.55 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.78 -42.08 98.66 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.89 -42.63 99.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 110.375 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.18 -44.01 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.52 . . . . 0.28999999999999998 109.646 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.27 -44.19 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.02 109.999 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.84 -45.36 94.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.822 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -60.45 -44.15 96.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.135 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.27 -42.15 99.36 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.55 -43.05 98.2 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.582 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.06 -49.16 77.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.934 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.471 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 77.2 ttt180 -60.68 -45.73 93.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -55.78 -44.33 77.62 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.19 -42.57 99.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.565 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.77 -50.15 74.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.486 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 7.8 m-85 -59.64 -41.95 91.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.705 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.94 95.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.671 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.26 80.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.675 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.05 -45.04 96.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.34 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.48 -41.17 76.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.47 -43.2 99.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.855 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.55 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.65 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.604 ' NZ ' ' NE2' ' B' ' 98' ' ' HIS . 69.3 mmtt -60.96 -29.88 69.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.059 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.95 -3.8 55.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.397 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.63 15.92 74.57 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.48 80.86 3.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.813 0.339 . . . . 0.0 110.356 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -64.4 -35.15 79.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.59 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.66 83.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.015 0.436 . . . . 0.0 110.789 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.65 81.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.398 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.56 78.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -61.52 -43.1 99.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.43 99.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.5 mmm -65.05 -40.58 94.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.555 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.0 mmt -62.17 -41.6 98.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.587 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.36 -43.8 97.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.463 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.11 -41.39 94.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.249 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.7 -46.61 88.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.471 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -60.14 -42.16 94.25 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.304 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 54.3 ttp -61.17 -43.67 98.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.282 0.563 . . . . 0.0 110.688 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.63 96.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.099 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.582 HD21 ' CB ' ' B' ' 18' ' ' ALA . 87.6 mt -64.94 -40.24 94.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.767 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.25 -41.73 97.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.385 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.48 -41.01 93.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.152 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.75 -45.33 78.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.493 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.72 -39.34 88.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.089999999999999997 110.223 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.2 mt -60.44 -44.04 96.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.318 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.0 -43.18 92.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.011 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.681 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.1 OUTLIER -59.47 -44.71 92.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.196 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -56.67 -42.61 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.059999999999999998 109.933 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.41 -39.05 89.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.932 0.396 . . . . 0.0 110.593 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.75 -32.73 74.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.61 HD11 ' OE1' ' B' ' 55' ' ' GLN . 77.9 mt -77.31 -32.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.5 . . . . 0.040000000000000001 110.737 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.68 -18.33 48.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.583 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.2 -20.44 25.47 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -93.55 -23.84 18.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.59 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.53 94.02 8.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.446 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.486 ' H ' ' HB3' ' B' ' 67' ' ' LYS . . . -92.17 177.74 39.83 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.82 111.56 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 110.621 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.17 1.91 88.46 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.486 ' HB3' ' H ' ' B' ' 64' ' ' GLY . 88.6 tttt -95.28 142.2 27.96 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.619 0.247 . . . . 0.0 110.471 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . 0.464 ' N ' ' SD ' ' B' ' 68' ' ' MET . 4.5 mpp? -67.0 141.28 57.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.619 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -89.63 -5.96 56.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.6 t -101.05 117.26 46.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.612 ' O ' HG23 ' B' ' 75' ' ' VAL . 96.2 p -129.36 164.3 23.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.599 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 72' ' ' LEU . 39.0 mt -59.7 -45.59 91.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.504 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.563 HG13 HG21 ' B' ' 8' ' ' VAL . 76.4 t -63.75 -46.57 94.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.763 0.316 . . . . 0.0 110.63 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.681 ' CD2' HE22 ' B' ' 55' ' ' GLN . 83.5 mt -64.13 -41.19 97.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.11 110.948 -179.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 71' ' ' SER . 53.2 t -60.71 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.849 -0.614 . . . . 0.38 110.264 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.454 ' CE1' ' CE1' ' B' ' 80' ' ' HIS . 54.4 t-80 -59.47 -45.52 91.41 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.841 -0.344 . . . . 1.1100000000000001 110.367 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.55 96.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.945 0.403 . . . . 0.059999999999999998 110.414 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -62.84 -40.14 96.52 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0900000000000001 110.238 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 83' ' ' THR . 48.1 tp -56.8 -46.64 81.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.398 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.454 ' CE1' ' CE1' ' B' ' 76' ' ' HIS . 43.1 m80 -68.43 -46.15 70.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.383 -0.371 . . . . 0.080000000000000002 110.681 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.97 -46.3 91.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.856 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.69 -42.59 99.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.268 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.9 p -64.25 -46.84 81.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.16 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -61.9 -49.59 75.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.61 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.76 -48.04 80.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.468 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.82 -44.31 97.1 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.175 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.69 84.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.891 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -58.4 -45.5 88.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.285 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.481 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.8 mt-10 -61.28 -43.92 98.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.143 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.95 -43.03 94.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 109.963 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.565 HD12 ' HB1' ' B' ' 22' ' ' ALA . 75.9 mt -60.87 -42.36 92.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.238 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 74.3 m -58.12 -46.05 86.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.077 0.465 . . . . 0.0 109.854 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.558 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.58 -43.74 96.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.414 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.552 HD13 ' OE1' ' A' ' 93' ' ' GLU . 71.9 mt -58.8 -43.96 90.65 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.02 -42.87 94.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.564 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.53 -40.45 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.54 -42.49 99.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.801 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.604 ' NE2' ' NZ ' ' B' ' 30' ' ' LYS . 67.2 m80 -59.74 -40.33 87.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.788 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.514 ' O ' ' O ' ' B' ' 102' ' ' LYS . 82.8 tt0 -61.47 -40.87 96.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.156 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.78 -38.12 88.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.133 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 38.9 mt -64.0 -43.26 96.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.325 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' B' ' 99' ' ' GLU . 54.2 mtmt -95.81 142.17 28.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.548 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.22 -37.34 74.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.614 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 83.8 tt0 -61.85 -70.68 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.628 ' O ' HG23 ' C' ' 8' ' ' VAL . 56.9 mt -37.91 -39.03 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.47 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.41 -47.16 80.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.803 0.335 . . . . 1.9399999999999999 110.348 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 96.8 mt-10 -66.47 -35.68 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.323 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.09 -42.55 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.365 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.628 HG23 ' O ' ' C' ' 4' ' ' LEU . 89.8 t -60.21 -44.56 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.013 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -58.78 -41.49 86.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.621 -0.511 . . . . 0.17999999999999999 109.621 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -41.96 98.06 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.98 -42.34 99.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.343 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.45 -44.06 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.29999999999999999 109.629 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.17 -44.06 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.02 110.1 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.96 -45.28 95.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.784 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.7 -44.01 97.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.165 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -42.27 99.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -63.69 -42.61 97.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.848 -0.426 . . . . 0.0 109.848 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.56 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.44 -49.54 76.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.747 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.481 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 77.3 ttt180 -60.37 -46.11 91.12 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -55.43 -44.68 76.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.77 -42.74 99.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.68 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.578 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.48 -50.51 73.63 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.455 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 7.9 m-85 -59.46 -41.88 90.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.531 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.2 95.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.736 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.08 85.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.576 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.84 -44.88 96.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.404 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.78 -41.12 77.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.59 -43.36 99.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.168 0.509 . . . . 0.0 109.879 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.77 94.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.775 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . 0.606 ' NZ ' ' NE2' ' C' ' 98' ' ' HIS . 69.3 mmtt -60.97 -29.82 69.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.1 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.7 -3.84 54.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.513 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.75 16.22 73.51 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.85 81.1 3.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -64.64 -34.92 79.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.483 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.64 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.1 0.476 . . . . 0.0 110.672 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.66 81.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.371 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.56 -48.74 78.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -61.52 -42.76 99.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.576 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.74 99.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -64.77 -40.84 95.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 11.1 mmt -61.87 -41.79 98.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.572 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.49 -43.65 98.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.42 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -64.99 -41.97 94.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.292 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.21 -46.56 89.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.604 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -60.31 -42.1 94.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.338 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 54.2 ttp -61.06 -43.91 98.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.36 0.6 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.97 97.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.359 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.56 HD21 ' CB ' ' C' ' 18' ' ' ALA . 87.0 mt -64.55 -40.36 95.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.708 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.46 -41.69 97.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.43 -41.05 93.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.033 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.64 78.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.436 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.647 ' CD2' HD22 ' D' ' 312' ' ' ASN . 84.0 t60 -60.46 -39.32 87.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.048 -0.523 . . . . 0.089999999999999997 110.307 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.52 -44.03 96.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.297 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.77 -43.45 93.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.096 0.474 . . . . 0.0 109.963 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.707 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.1 OUTLIER -59.42 -44.82 92.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.245 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.887 HG21 HG22 ' D' ' 356' ' ' THR . 18.9 m -56.59 -42.32 78.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.303 -0.408 . . . . 0.059999999999999998 110.177 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.66 -39.04 89.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.509 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 58' ' ' LEU . 99.1 mt -63.42 -32.74 74.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.611 HD11 ' OE1' ' C' ' 55' ' ' GLN . 76.8 mt -77.49 -32.24 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.053 -0.521 . . . . 0.059999999999999998 110.829 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.602 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 76.0 mm-40 -80.91 -18.34 47.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.26 -20.17 26.12 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -93.67 -23.71 18.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.74 93.92 8.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.467 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . 0.492 ' H ' ' HB3' ' C' ' 67' ' ' LYS . . . -92.44 177.69 39.38 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.61 111.62 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 110.589 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.28 1.72 88.51 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.492 ' HB3' ' H ' ' C' ' 64' ' ' GLY . 88.6 tttt -94.95 141.92 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.597 0.237 . . . . 0.0 110.561 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' C' ' 68' ' ' MET . 4.4 mpp? -66.88 141.2 57.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.601 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -89.63 -5.77 56.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.81 116.63 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.626 ' O ' HG23 ' C' ' 75' ' ' VAL . 98.7 p -128.04 166.59 18.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.4 -44.93 96.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.676 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.567 HG13 HG21 ' C' ' 8' ' ' VAL . 79.0 t -64.63 -47.51 88.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 130.104 3.362 . . . . 0.0 110.621 -178.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.707 ' CD2' HE22 ' C' ' 55' ' ' GLN . 86.3 mt -65.57 -41.46 92.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.101 0.477 . . . . 0.11 110.982 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.626 HG23 ' O ' ' C' ' 71' ' ' SER . 53.2 t -60.61 -47.91 90.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.806 -0.634 . . . . 0.40000000000000002 110.177 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.452 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 54.5 t-80 -59.17 -45.66 90.43 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.835 -0.346 . . . . 1.02 110.352 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.66 95.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.873 0.368 . . . . 0.059999999999999998 110.377 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.6 -40.15 96.01 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.229 -0.442 . . . . 1.0900000000000001 110.242 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' C' ' 83' ' ' THR . 47.7 tp -56.65 -47.13 80.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.472 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.452 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 43.4 m80 -68.0 -46.4 71.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.361 -0.381 . . . . 0.080000000000000002 110.717 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.8 mt -60.83 -46.17 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.81 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.88 -42.25 98.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.358 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -64.62 -46.78 81.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.143 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 10.9 t -62.12 -49.31 76.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.574 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.74 -48.09 80.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.496 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.82 -44.38 96.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.113 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.22 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.926 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -57.8 -45.72 85.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.29 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.16 -43.77 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.174 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.23 -43.11 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.193 0.52 . . . . 0.0 109.983 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.578 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.0 mt -60.53 -42.51 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.438 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 75.1 m -58.21 -45.73 87.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 0.0 110.031 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.82 -43.38 96.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.468 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.558 HD13 ' OE1' ' B' ' 93' ' ' GLU . 72.0 mt -59.03 -43.91 91.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.279 0.561 . . . . 0.0 109.498 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.01 -42.68 93.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.526 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.78 -40.34 92.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.45 -42.62 99.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.881 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.606 ' NE2' ' NZ ' ' C' ' 30' ' ' LYS . 67.4 m80 -59.71 -40.31 87.54 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.746 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.525 ' O ' ' O ' ' C' ' 102' ' ' LYS . 84.1 tt0 -61.63 -40.74 95.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.107 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.8 -38.31 88.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.17 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.84 -43.11 97.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.399 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.525 ' O ' ' O ' ' C' ' 99' ' ' GLU . 54.4 mtmt -95.97 142.15 28.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.384 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.526 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 121.869 0.842 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 143.02 36.73 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.32 38.6 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.025 -1.047 . . . . 0.0 109.564 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.4 18.88 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.054 -1.028 . . . . 0.0 108.386 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.92 144.32 19.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.68 136.54 37.07 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 122.155 0.979 . . . . 0.0 110.197 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.89 114.27 24.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.2 p -106.92 -4.23 19.35 Favored 'General case' 0 C--N 1.265 -3.071 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.78 85.69 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 119.675 -1.891 . . . . 0.0 110.636 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -45.54 -47.61 13.06 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 124.734 3.622 . . . . 0.0 114.086 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.647 HD22 ' CD2' ' C' ' 52' ' ' HIS . 11.2 m120 -102.17 27.5 6.62 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 116.127 -2.229 . . . . 0.0 108.77 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.24 -123.95 21.71 Favored Glycine 0 N--CA 1.495 2.605 0 C-N-CA 117.718 -2.182 . . . . 0.0 109.633 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.749 HD11 HD23 ' D' ' 384' ' ' LEU . 3.4 tp -132.08 76.31 1.69 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.924 -1.339 . . . . 0.0 109.521 -176.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 174.14 10.74 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 117.894 -1.522 . . . . 0.0 112.14 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.1 p -21.99 -69.41 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.571 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 24.5 ttt-85 -44.23 -66.41 0.47 Allowed Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 120.172 -0.611 . . . . 0.0 112.493 -177.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.58 -32.22 58.88 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 C-N-CA 121.675 1.583 . . . . 0.0 111.507 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.493 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.88 -38.89 87.16 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.21 -0.931 . . . . 0.0 109.526 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.433 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.92 -39.74 72.52 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.98 -39.36 93.95 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 117.995 -1.482 . . . . 0.0 109.494 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.35 93.19 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.572 1.177 . . . . 0.0 108.646 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.493 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.2 t -62.65 -42.22 95.21 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.674 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -63.95 -40.25 96.0 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.281 -0.887 . . . . 0.0 109.734 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.76 80.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.43 -0.794 . . . . 0.0 109.586 177.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.94 -44.07 91.3 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.752 -1.217 . . . . 0.0 109.445 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.33 -16.15 43.06 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.52 86.15 Favored Glycine 0 N--CA 1.479 1.545 0 O-C-N 119.94 -1.725 . . . . 0.0 109.342 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.5 143.33 32.87 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.271 -1.723 . . . . 0.0 109.995 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.57 -30.05 59.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.227 -0.921 . . . . 0.0 112.353 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.54 10.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 119.818 -1.801 . . . . 0.0 112.829 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.2 35.31 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 102.832 -3.025 . . . . 0.0 102.832 171.223 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.392 0 O-C-N 121.096 -1.002 . . . . 0.0 109.361 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.3 m -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-O 123.094 1.426 . . . . 0.0 109.9 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.9 t -108.12 129.89 61.58 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.701 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.6 m -127.39 119.58 26.51 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.86 -1.15 . . . . 0.0 108.96 -178.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.0 t -122.59 122.58 39.18 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.591 -0.693 . . . . 0.0 109.898 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.78 38.91 24.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.884 -1.135 . . . . 0.0 112.781 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.07 83.5 Favored Glycine 0 N--CA 1.502 3.088 0 O-C-N 120.001 -1.687 . . . . 0.0 112.557 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.93 136.28 54.58 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.78 158.54 33.09 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-O 123.831 1.777 . . . . 0.0 112.427 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.33 31.27 Favored 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 112.436 -2.165 . . . . 0.0 108.576 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.56 135.97 48.91 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.74 47.52 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.68 -1.262 . . . . 0.0 110.763 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.47 12.96 31.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.677 -1.264 . . . . 0.0 109.458 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.5 m -133.0 104.16 6.4 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 122.098 0.952 . . . . 0.0 110.197 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.6 tp -57.24 -37.99 73.12 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.918 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -58.86 -51.4 70.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.628 -1.295 . . . . 0.0 113.074 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -69.99 -32.48 70.7 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 119.542 -1.974 . . . . 0.0 109.186 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.76 -33.69 75.69 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.975 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.602 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.71 -10.44 52.45 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.618 -0.676 . . . . 0.0 109.885 -177.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.0 p -89.8 -7.69 53.82 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.935 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.501 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 96.6 mt -93.38 159.27 15.33 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.213 -0.929 . . . . 0.0 110.128 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.91 2.97 Favored Glycine 0 N--CA 1.485 1.943 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.61 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 120.74 -1.447 . . . . 0.0 107.432 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.887 HG22 HG21 ' C' ' 56' ' ' THR . 3.6 p -81.48 172.63 13.28 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.272 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -60.73 140.92 57.37 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.867 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.2 78.93 Favored Glycine 0 N--CA 1.5 2.963 0 C-N-CA 120.02 -1.086 . . . . 0.0 111.375 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.47 135.91 34.05 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.941 -1.329 . . . . 0.0 110.648 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 91.0 t -96.56 123.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.485 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.1 160.05 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 119.997 -1.689 . . . . 0.0 110.67 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.5 m -108.83 128.38 54.84 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.516 -1.365 . . . . 0.0 107.594 175.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.87 121.45 60.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.33 50.72 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 -179.599 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.81 153.42 47.09 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.765 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.79 6.42 Favored 'General case' 0 C--N 1.288 -2.094 0 C-N-CA 118.509 -1.276 . . . . 0.0 107.997 178.229 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.3 40.16 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 117.979 -2.058 . . . . 0.0 110.365 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.58 82.6 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.428 -0.886 . . . . 0.0 112.248 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.65 3.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 118.968 -2.333 . . . . 0.0 108.603 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.25 -33.67 65.64 Favored 'General case' 0 N--CA 1.521 3.124 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.465 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.53 27.75 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.544 -1.972 . . . . 0.0 111.02 -176.562 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.811 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.77 97.83 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.5 77.62 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 117.442 -1.703 . . . . 0.0 110.025 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.78 -42.26 89.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-O 122.231 1.015 . . . . 0.0 109.291 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.86 76.58 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-O 122.107 0.956 . . . . 0.0 108.789 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.811 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.82 -38.33 76.53 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.651 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' D' ' 377' ' ' LEU . 79.8 mt -75.63 -28.61 58.87 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.369 -1.457 . . . . 0.0 110.85 -174.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.47 70.94 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.436 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.9 -49.24 63.07 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.26 -45.27 84.15 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.042 -1.063 . . . . 0.0 110.523 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.485 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.28 -37.38 85.31 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.895 -1.128 . . . . 0.0 111.609 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.79 61.58 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.17 -0.956 . . . . 0.0 110.215 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -78.87 -32.33 45.91 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.517 -0.739 . . . . 0.0 111.304 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.749 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.06 125.47 12.24 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 124.313 2.006 . . . . 0.0 112.877 178.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.2 tt0 . . . . . 0 C--N 1.277 -2.548 0 CA-C-N 111.134 -2.757 . . . . 0.0 110.126 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.58 ' O3 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -57.73 -36.24 71.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 6' ' ' GLU . 96.9 mt-10 -58.82 -76.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.482 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.7 mt -37.92 -38.44 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.83 -46.91 79.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.946 0.403 . . . . 1.9399999999999999 110.284 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.8 tt0 -67.22 -36.41 81.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.217 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 58' ' ' LEU . 85.2 t -63.78 -42.18 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.363 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 4' ' ' LEU . 69.9 t -60.29 -44.87 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.93 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -58.91 -40.85 85.76 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.564 -0.532 . . . . 0.17999999999999999 109.564 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.27 97.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.83 -42.76 99.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.174 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.1 -43.85 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.20000000000000001 109.784 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.444 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.2 mt -64.02 -44.08 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.553 . . . . 0.01 109.984 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.22 -45.98 92.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.813 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.5 p -60.64 -43.36 97.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.003 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -42.71 98.92 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.576 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 93.7 mm-40 -63.4 -42.52 98.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.551 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.47 -48.98 78.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.883 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.48 -46.39 90.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.0 m -54.69 -43.96 72.97 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.19 -42.0 99.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.689 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -60.13 -49.82 76.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.365 0.603 . . . . 0.0 109.388 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.78 -42.79 94.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.557 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.0 93.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.72 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.67 -42.62 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.652 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.62 -45.58 93.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.485 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.96 -41.88 75.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 36' ' ' ALA . 26.2 mt-30 -62.01 -41.5 98.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.857 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.86 93.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.701 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.63 -28.82 69.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.14 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -80.4 -4.58 54.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.462 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.97 14.61 69.18 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.35 79.23 2.51 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -64.51 -34.73 78.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.676 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.33 83.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.063 0.459 . . . . 0.0 110.742 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' C ' ' NE2' ' A' ' 28' ' ' GLN . . . -65.45 -34.9 79.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.322 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.36 83.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.605 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.35 -42.61 99.54 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.591 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.1 98.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.801 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.36 -42.02 93.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.486 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.543 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.6 mtm -64.01 -40.76 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.633 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.65 -44.97 94.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.84 -41.13 97.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.212 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -61.11 -45.69 93.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.732 ' HE ' HH12 ' A' ' 88' ' ' ARG . 41.2 ttm180 -60.99 -42.23 98.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.323 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.3 -42.24 99.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.158 0.504 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.58 99.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.157 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.551 HD21 ' CB ' ' A' ' 18' ' ' ALA . 91.2 mt -66.06 -39.21 89.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.736 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.41 -42.89 96.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.307 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.6 -39.89 92.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.226 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.51 80.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -62.2 -37.84 86.86 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.061 -0.518 . . . . 0.089999999999999997 110.439 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.02 -43.97 98.1 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.33 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.43 -42.87 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.013 0.435 . . . . 0.0 110.05 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.473 HE22 ' CG1' ' A' ' 59' ' ' ILE . 9.3 tm0? -60.65 -44.27 96.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.239 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -56.7 -42.64 79.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.059999999999999998 110.037 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.76 -38.61 88.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.425 . . . . 0.0 110.58 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.409 HD11 HG11 ' A' ' 7' ' ' VAL . 97.1 mt -63.94 -29.15 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.685 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.473 ' CG1' HE22 ' A' ' 55' ' ' GLN . 95.9 mt -88.47 -32.13 5.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.050000000000000003 110.812 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -83.1 -7.54 59.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.09 131.79 48.47 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.511 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 57.5 t0 -90.64 -1.51 57.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.593 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.46 54.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.554 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.29 124.28 7.27 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 67' ' ' LYS . 97.3 mt-10 -95.7 111.95 23.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.84 0.352 . . . . 0.0 110.657 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.19 -20.89 0.54 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.549 ' H ' ' C ' ' A' ' 65' ' ' GLU . 63.7 pttt -101.22 140.29 35.71 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.671 0.272 . . . . 0.0 110.46 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 76.9 mtm -94.38 -92.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -106.24 -46.99 3.92 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.803 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.402 HG11 ' HB2' ' B' ' 76' ' ' HIS . 21.6 t -102.37 123.17 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.709 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 75' ' ' VAL . 5.7 p -129.97 162.28 29.02 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 72' ' ' LEU . 31.3 mt -58.05 -44.54 87.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.619 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.613 HG13 HG21 ' A' ' 8' ' ' VAL . 71.3 t -65.83 -47.02 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.904 0.383 . . . . 0.0 110.595 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.5 -43.18 94.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.206 -0.452 . . . . 0.11 110.884 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 71' ' ' SER . 54.0 t -60.94 -47.84 91.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.753 -0.658 . . . . 0.38 110.218 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.42 -46.14 89.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.778 0.323 . . . . 0.0 110.317 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.77 90.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.466 -0.333 . . . . 0.059999999999999998 110.607 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.416 ' NE2' HD11 ' A' ' 59' ' ' ILE . 84.0 mt-30 -61.59 -38.43 87.52 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0900000000000001 110.159 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.555 ' O ' HG23 ' A' ' 83' ' ' THR . 33.2 tp -56.78 -47.59 79.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.403 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.521 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 51.0 m80 -68.09 -47.54 67.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.277 -0.419 . . . . 0.080000000000000002 110.703 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.18 -47.09 87.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.865 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.76 -42.89 99.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.217 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 79' ' ' LEU . 19.2 p -63.5 -45.56 90.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.068 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.98 -47.45 84.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.387 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.55 -46.92 83.33 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.545 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.99 -44.38 96.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.077 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.07 80.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.871 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.732 HH12 ' HE ' ' A' ' 45' ' ' ARG . 71.4 ttp85 -58.4 -44.78 89.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.186 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.5 mt-10 -61.53 -43.48 98.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.115 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.6 mt -64.47 -43.45 94.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.177 0.513 . . . . 0.0 109.767 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.532 HD12 ' HB1' ' A' ' 22' ' ' ALA . 81.1 mt -60.93 -42.49 92.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.224 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 m -58.03 -46.26 85.61 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.517 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.7 mt-10 -63.2 -43.31 98.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.607 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 23.1 mt -59.06 -43.25 91.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.324 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.543 HD12 ' SD ' ' A' ' 41' ' ' MET . 85.9 mt -61.03 -42.87 94.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.537 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -61.38 -39.86 92.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.582 HD21 ' NE2' ' B' ' 98' ' ' HIS . 39.2 mt -62.42 -42.22 99.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.835 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -60.88 -39.8 90.62 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 103' ' ' ALA . 81.8 tt0 -64.01 -38.25 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.184 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -63.85 -40.71 97.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.218 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.81 -41.77 97.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.417 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -93.28 -5.83 48.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.524 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.587 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -57.82 -36.11 71.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.512 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 6' ' ' GLU . 96.8 mt-10 -58.81 -76.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.45 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.657 ' O ' HG23 ' B' ' 8' ' ' VAL . 61.3 mt -37.93 -38.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.467 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.02 -46.87 79.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 1.9399999999999999 110.393 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.0 tt0 -67.22 -36.15 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.23 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.408 HG11 HD11 ' B' ' 58' ' ' LEU . 82.4 t -64.06 -42.22 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.277 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 4' ' ' LEU . 70.7 t -60.35 -44.61 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.866 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.25 -40.89 87.39 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.522 -0.548 . . . . 0.17999999999999999 109.522 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.49 -42.27 97.59 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.86 -42.67 99.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.354 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.24 -44.03 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.933 -0.576 . . . . 0.28999999999999998 109.711 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -44.49 98.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.916 -0.583 . . . . 0.02 109.98 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -60.83 -46.3 91.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.844 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -60.11 -43.53 95.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.159 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.13 99.09 Favored Glycine 0 C--N 1.332 0.352 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.2 -42.38 99.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.552 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.66 -48.65 80.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.866 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.63 -46.49 90.08 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 69.6 m -54.69 -43.64 72.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.37 -42.45 98.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.733 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.8 -49.85 76.12 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.427 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.0 m-85 -59.77 -42.72 93.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.596 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.63 93.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.62 91.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.617 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.42 -45.92 92.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.347 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -55.63 -42.33 74.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.538 ' NE2' ' C ' ' B' ' 36' ' ' ALA . 26.3 mt-30 -61.63 -41.55 97.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.813 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.88 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.719 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.88 -28.48 69.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.068 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -80.58 -4.95 55.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.432 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.27 14.34 69.05 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -98.06 79.37 2.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.765 0.316 . . . . 0.0 110.289 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -64.83 -34.73 79.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.61 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.58 82.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.04 0.448 . . . . 0.0 110.781 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.538 ' C ' ' NE2' ' B' ' 28' ' ' GLN . . . -65.12 -35.19 80.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.366 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.37 83.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.608 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.02 -43.0 99.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 110.633 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.23 98.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.644 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.3 -42.23 93.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.531 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.6 mtm -63.69 -40.62 97.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.558 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.85 -44.96 94.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.496 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.89 -40.8 97.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.243 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 41.8 t -61.56 -45.45 94.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.736 ' HE ' HH12 ' B' ' 88' ' ' ARG . 41.3 ttm180 -61.38 -42.26 98.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.261 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.74 -42.81 99.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 110.643 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.58 99.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.135 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.552 HD21 ' CB ' ' B' ' 18' ' ' ALA . 91.6 mt -66.28 -39.22 89.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.749 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.39 -42.45 95.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.331 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.99 -40.16 90.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.16 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.74 -44.68 80.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.422 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.26 -37.75 86.66 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.089999999999999997 110.294 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.02 -44.0 98.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 68.1 t -66.5 -42.76 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.043 0.449 . . . . 0.0 110.049 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.48 HE22 ' CG1' ' B' ' 59' ' ' ILE . 9.2 tm0? -60.66 -44.26 96.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.242 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -56.82 -42.66 79.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.059999999999999998 110.018 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.71 -38.52 88.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 0.0 110.54 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.408 HD11 HG11 ' B' ' 7' ' ' VAL . 97.2 mt -64.02 -28.94 70.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.733 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.48 ' CG1' HE22 ' B' ' 55' ' ' GLN . 96.1 mt -88.78 -32.29 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.040000000000000001 110.779 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -83.13 -6.92 59.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.49 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.71 131.46 46.51 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.51 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 57.9 t0 -90.63 -1.46 57.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 110.524 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.56 54.51 1.36 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.436 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.26 124.24 7.25 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.535 ' C ' ' H ' ' B' ' 67' ' ' LYS . 97.5 mt-10 -95.62 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 0.0 110.598 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.37 -21.08 0.55 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' B' ' 65' ' ' GLU . 63.9 pttt -101.32 140.77 35.16 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.618 0.247 . . . . 0.0 110.454 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 76.9 mtm -94.7 -91.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.638 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -107.34 -46.36 3.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.787 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.407 HG11 ' HB2' ' C' ' 76' ' ' HIS . 17.8 t -103.47 122.17 55.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.817 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.492 ' O ' HG23 ' B' ' 75' ' ' VAL . 10.0 p -129.04 163.77 24.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.519 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 72' ' ' LEU . 34.8 mt -60.04 -44.7 94.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.633 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.605 HG13 HG21 ' B' ' 8' ' ' VAL . 67.6 t -64.39 -46.89 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.625 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.4 -43.05 95.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.126 0.489 . . . . 0.11 111.013 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 71' ' ' SER . 53.0 t -60.89 -47.68 92.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.781 -0.645 . . . . 0.38 110.309 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.402 ' HB2' HG11 ' A' ' 70' ' ' VAL . 47.4 t60 -59.46 -46.36 88.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.828 -0.349 . . . . 1.1100000000000001 110.346 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.91 90.13 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.928 0.394 . . . . 0.059999999999999998 110.448 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -61.25 -38.7 87.62 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.146 -0.479 . . . . 1.0900000000000001 110.194 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.564 ' O ' HG23 ' B' ' 83' ' ' THR . 33.5 tp -56.97 -47.31 81.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.403 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -68.13 -47.45 68.08 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.821 -0.352 . . . . 0.080000000000000002 110.705 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.36 -47.0 87.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.856 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.66 -43.04 99.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.246 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 79' ' ' LEU . 19.6 p -63.39 -45.33 91.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.192 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -62.1 -47.28 85.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.86 -46.86 84.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.482 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.67 -44.8 96.27 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.44 79.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.935 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.736 HH12 ' HE ' ' B' ' 45' ' ' ARG . 71.9 ttp85 -57.83 -45.01 86.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.252 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.408 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -61.53 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.176 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.42 -43.16 95.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 110.01 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.526 HD12 ' HB1' ' B' ' 22' ' ' ALA . 82.2 mt -61.12 -42.52 93.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.237 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 71.2 m -58.02 -46.12 85.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.041 0.448 . . . . 0.0 109.828 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.505 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.9 mt-10 -63.43 -42.91 98.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.45 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.553 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 23.4 mt -59.5 -43.26 93.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.531 HD12 ' SD ' ' B' ' 41' ' ' MET . 85.3 mt -60.95 -43.04 95.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.55 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -61.07 -40.13 92.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.733 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.589 HD21 ' NE2' ' C' ' 98' ' ' HIS . 37.6 mt -62.35 -42.02 99.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.803 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.582 ' NE2' HD21 ' A' ' 97' ' ' LEU . 67.7 m80 -61.0 -40.07 92.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.582 ' O ' ' N ' ' B' ' 103' ' ' ALA . 81.4 tt0 -63.65 -38.78 92.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.094 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.48 -40.71 97.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.197 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.75 -42.07 97.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.344 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -93.09 -5.96 49.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.582 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.6 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -57.33 -35.79 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.647 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.8 mt-10 -59.04 -76.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.666 ' O ' HG23 ' C' ' 8' ' ' VAL . 61.5 mt -38.1 -38.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.475 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.83 -46.71 80.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.836 0.35 . . . . 1.9399999999999999 110.443 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.3 tt0 -67.41 -36.45 81.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.305 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.58 -42.03 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.666 HG23 ' O ' ' C' ' 4' ' ' LEU . 73.4 t -60.7 -44.42 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.001 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.34 -41.4 89.1 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.601 -0.518 . . . . 0.17999999999999999 109.601 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.92 -42.33 98.38 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.71 -42.77 99.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.394 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.4 -43.6 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.29999999999999999 109.713 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.87 -44.09 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.066 -0.515 . . . . 0.02 110.031 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.32 -45.91 92.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.765 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -60.5 -43.63 96.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.232 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.34 98.84 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -62.73 -43.12 99.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.559 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.7 -49.65 75.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.99 -46.66 88.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.0 m -54.3 -44.58 72.08 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.49 -42.49 99.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.754 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.531 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.7 -50.18 74.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.408 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.41 -43.13 93.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.561 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.67 92.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.668 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.37 90.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.564 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.73 -45.77 92.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.464 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -55.95 -41.74 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.548 ' NE2' ' C ' ' C' ' 36' ' ' ALA . 26.2 mt-30 -62.31 -40.93 97.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.874 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.6 94.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.822 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.15 -28.57 69.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.062 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -80.48 -4.92 55.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.417 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.34 14.53 68.48 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -98.48 79.24 2.48 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.6 -34.89 79.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.579 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.12 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.713 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . 0.548 ' C ' ' NE2' ' C' ' 28' ' ' GLN . . . -65.63 -35.1 79.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -47.23 83.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.488 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.07 -43.23 99.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.611 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.16 99.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.768 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . 0.403 ' HG3' ' NE2' ' C' ' 28' ' ' GLN . 90.0 mmm -65.38 -41.98 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.542 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.528 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.2 mtm -63.91 -40.95 97.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.644 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.56 -44.98 94.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.77 -40.82 97.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.279 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -61.64 -45.44 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.562 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.714 ' HE ' HH12 ' C' ' 88' ' ' ARG . 41.6 ttm180 -61.15 -42.24 98.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.96 0.409 . . . . 0.0 110.351 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.89 -42.85 99.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.349 0.595 . . . . 0.0 110.531 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.4 99.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.379 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.559 HD21 ' CB ' ' C' ' 18' ' ' ALA . 92.3 mt -66.48 -39.29 88.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.752 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.37 -42.83 96.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.396 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.68 -40.18 92.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.038 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.17 80.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.474 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.558 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.6 t-80 -61.71 -38.04 86.38 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.932 -0.576 . . . . 0.089999999999999997 110.328 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 53' ' ' LEU . 37.1 mt -60.88 -44.16 97.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.29 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.15 -42.86 92.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.044 0.449 . . . . 0.0 109.997 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.481 HE22 ' CG1' ' C' ' 59' ' ' ILE . 9.2 tm0? -60.88 -44.25 97.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.225 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.747 HG21 HG22 ' D' ' 356' ' ' THR . 19.0 m -56.71 -42.46 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.059999999999999998 110.173 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.99 -38.55 88.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.496 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.75 -29.25 70.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.794 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.481 ' CG1' HE22 ' C' ' 55' ' ' GLN . 95.9 mt -88.4 -32.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.059999999999999998 110.861 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 80.3 mm-40 -83.35 -7.11 59.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.36 132.29 47.88 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.511 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 58.2 t0 -91.29 -1.45 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.571 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.46 54.61 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.36 124.35 7.31 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . 0.552 ' C ' ' H ' ' C' ' 67' ' ' LYS . 97.8 mt-10 -95.62 112.48 24.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 110.609 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.87 -21.19 0.48 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' C' ' 65' ' ' GLU . 64.1 pttt -100.9 140.42 35.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.676 0.274 . . . . 0.0 110.59 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 76.8 mtm -94.44 -91.83 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.58 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.418 ' NZ ' ' CD1' ' D' ' 348' ' ' PHE . 53.6 mtmt -107.06 -46.44 3.91 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 17.6 t -103.08 121.87 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.787 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.504 ' O ' HG23 ' C' ' 75' ' ' VAL . 10.1 p -127.89 166.51 18.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.508 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' C' ' 72' ' ' LEU . 19.2 mt -62.14 -43.65 98.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.696 -177.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' C' ' 8' ' ' VAL . 65.4 t -65.89 -47.33 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 130.13 3.372 . . . . 0.0 110.633 -178.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.63 -42.96 85.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.067 0.46 . . . . 0.11 110.973 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.504 HG23 ' O ' ' C' ' 71' ' ' SER . 54.2 t -60.96 -47.97 91.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.771 -0.65 . . . . 0.40000000000000002 110.23 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.407 ' HB2' HG11 ' B' ' 70' ' ' VAL . 48.7 t60 -59.73 -46.61 88.59 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.894 -0.322 . . . . 1.02 110.264 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.9 -45.68 91.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.851 0.357 . . . . 0.059999999999999998 110.374 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.404 ' NE2' HD11 ' C' ' 59' ' ' ILE . 84.0 mt-30 -61.35 -38.59 87.5 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.26 -0.427 . . . . 1.0900000000000001 110.276 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.562 ' O ' HG23 ' C' ' 83' ' ' THR . 33.5 tp -56.87 -47.59 80.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.472 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -67.93 -47.66 68.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 0.080000000000000002 110.749 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.1 -47.16 87.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.822 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.43 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.38 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.562 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -63.24 -45.11 93.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.195 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -62.13 -47.56 84.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.4 -47.27 82.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.436 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.49 -44.86 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.188 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.25 79.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.869 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.714 HH12 ' HE ' ' C' ' 45' ' ' ARG . 71.5 ttp85 -58.17 -44.84 88.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.219 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.139 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.46 -43.36 94.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 109.97 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.531 HD12 ' HB1' ' C' ' 22' ' ' ALA . 82.3 mt -60.85 -42.69 93.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.4 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.7 m -57.88 -46.07 85.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.442 . . . . 0.0 109.986 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.39 -43.24 98.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.473 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.555 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 22.8 mt -59.09 -43.28 91.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.528 HD12 ' SD ' ' C' ' 41' ' ' MET . 84.7 mt -61.05 -43.07 95.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.631 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.78 -40.3 92.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.148 0.499 . . . . 0.0 109.829 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' C' ' 97' ' ' LEU . 38.4 mt -62.05 -42.33 99.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.885 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.589 ' NE2' HD21 ' B' ' 97' ' ' LEU . 67.8 m80 -60.77 -39.99 90.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.588 ' O ' ' N ' ' C' ' 103' ' ' ALA . 81.4 tt0 -63.67 -39.0 93.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.062 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.21 -40.56 97.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.249 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.01 -41.98 97.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.296 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -93.25 -6.23 48.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.438 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.446 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.905 0.86 . . . . 0.0 108.881 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.08 36.66 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.31 38.51 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.0 -1.063 . . . . 0.0 109.556 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.13 149.21 28.53 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.28 152.31 19.0 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.025 -1.047 . . . . 0.0 108.364 178.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.76 144.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.72 136.57 37.07 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 122.162 0.982 . . . . 0.0 110.131 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.86 114.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.87 -4.34 19.31 Favored 'General case' 0 C--N 1.265 -3.067 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.42 141.87 86.08 Favored Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 119.612 -1.93 . . . . 0.0 110.612 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.59 -47.6 13.19 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 124.7 3.6 . . . . 0.0 114.184 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.558 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.0 m-20 -102.17 27.49 6.63 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 116.125 -2.23 . . . . 0.0 108.799 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.11 -127.5 27.34 Favored Glycine 0 N--CA 1.497 2.715 0 C-N-CA 117.698 -2.192 . . . . 0.0 109.538 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.556 HD21 HD23 ' D' ' 384' ' ' LEU . 0.8 OUTLIER -130.04 78.06 1.82 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.861 -1.376 . . . . 0.0 109.482 -177.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.56 176.38 8.65 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 117.891 -1.524 . . . . 0.0 112.108 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 13.6 p -21.65 -69.58 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.576 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 4.5 ttt-85 -45.01 -66.16 0.53 Allowed Pre-proline 0 N--CA 1.493 1.709 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.499 -177.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -64.85 -32.16 56.04 Favored 'Trans proline' 0 N--CA 1.485 0.985 0 C-N-CA 121.904 1.736 . . . . 0.0 111.434 176.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.483 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.84 86.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.209 -0.932 . . . . 0.0 109.505 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.95 -39.75 72.41 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -63.91 -39.4 94.08 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 117.965 -1.494 . . . . 0.0 109.493 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.435 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.72 -45.23 93.71 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 122.575 1.178 . . . . 0.0 108.748 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.483 HG23 ' O ' ' D' ' 319' ' ' ALA . 54.5 t -62.72 -42.21 95.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.623 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -63.9 -40.26 96.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.226 -0.921 . . . . 0.0 109.763 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.73 -39.7 80.23 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.381 -0.824 . . . . 0.0 109.617 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.95 91.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.551 -1.343 . . . . 0.0 109.422 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.41 -16.19 44.17 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 121.315 -0.866 . . . . 0.0 113.323 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.88 -10.55 86.08 Favored Glycine 0 N--CA 1.478 1.499 0 O-C-N 119.955 -1.715 . . . . 0.0 109.339 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.49 143.29 32.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.231 -1.746 . . . . 0.0 110.03 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.4 p -75.57 -30.05 59.53 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.229 -0.919 . . . . 0.0 112.325 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.75 158.61 10.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 119.806 -1.809 . . . . 0.0 112.826 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.28 35.36 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 102.807 -3.034 . . . . 0.0 102.807 171.291 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.71 136.52 60.58 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.415 0 O-C-N 121.112 -0.993 . . . . 0.0 109.278 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.93 143.19 50.99 Favored 'General case' 0 C--N 1.284 -2.248 0 CA-C-O 123.091 1.424 . . . . 0.0 109.978 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.0 t -108.04 129.93 61.39 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.744 0 N-CA-C 105.551 -2.018 . . . . 0.0 105.551 173.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.1 m -127.45 119.59 26.46 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.859 -1.151 . . . . 0.0 108.895 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.58 122.6 39.25 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.906 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.85 38.85 24.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.868 -1.145 . . . . 0.0 112.767 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.02 83.53 Favored Glycine 0 N--CA 1.502 3.056 0 O-C-N 119.972 -1.705 . . . . 0.0 112.588 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.89 136.29 54.56 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.79 158.47 33.27 Favored 'General case' 0 C--N 1.275 -2.646 0 CA-C-O 123.809 1.766 . . . . 0.0 112.467 -176.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.58 151.4 31.5 Favored 'General case' 0 C--N 1.279 -2.493 0 CA-C-N 112.472 -2.149 . . . . 0.0 108.585 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.56 135.88 48.85 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.77 47.44 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.692 -1.255 . . . . 0.0 110.73 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.93 31.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.612 -1.305 . . . . 0.0 109.39 -177.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.8 t -133.1 104.11 6.35 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 122.215 1.007 . . . . 0.0 110.174 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.1 tp -57.17 -37.92 72.82 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.968 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . 0.418 ' CD1' ' NZ ' ' C' ' 69' ' ' LYS . 91.4 m-85 -59.03 -51.28 70.74 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.61 -1.306 . . . . 0.0 113.021 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.04 -32.47 70.62 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 119.527 -1.983 . . . . 0.0 109.223 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.7 -33.78 75.8 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.932 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.547 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.7 -10.41 52.19 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.731 -0.606 . . . . 0.0 109.953 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.3 p -89.76 -7.79 53.66 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.965 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.46 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 94.9 mt -93.3 159.27 15.34 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 110.16 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.79 2.96 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 106.889 -2.485 . . . . 0.0 106.889 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.55 47.43 1.71 Allowed 'General case' 0 C--N 1.308 -1.222 0 O-C-N 120.745 -1.444 . . . . 0.0 107.467 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.747 HG22 HG21 ' C' ' 56' ' ' THR . 3.8 p -81.45 172.51 13.43 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.864 -1.134 . . . . 0.0 109.232 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.7 140.92 57.33 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.384 -0.926 . . . . 0.0 109.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.2 78.87 Favored Glycine 0 N--CA 1.5 2.91 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.35 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.41 135.89 34.09 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.919 -1.342 . . . . 0.0 110.641 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.48 123.69 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.484 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.11 160.03 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 C-N-CA 117.474 -1.69 . . . . 0.0 110.702 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.91 128.42 54.91 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 120.519 -1.363 . . . . 0.0 107.571 175.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.94 121.46 60.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 176.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.26 50.72 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -179.555 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.43 47.11 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 118.498 -1.281 . . . . 0.0 109.728 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.73 6.4 Favored 'General case' 0 C--N 1.288 -2.101 0 C-N-CA 118.585 -1.246 . . . . 0.0 108.045 178.241 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.3 40.16 Favored Glycine 0 C--N 1.296 -1.664 0 C-N-CA 118.019 -2.039 . . . . 0.0 110.377 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.59 82.48 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.28 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.07 36.84 3.52 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 115.844 -2.342 . . . . 0.0 108.583 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.44 -33.51 65.93 Favored 'General case' 0 N--CA 1.521 3.095 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -174.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.457 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.66 27.52 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.575 -1.953 . . . . 0.0 110.996 -176.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.759 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.5 -40.73 97.84 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.49 77.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 117.475 -1.69 . . . . 0.0 110.018 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.83 -42.19 88.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-O 122.192 0.996 . . . . 0.0 109.323 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.87 -47.87 76.57 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.05 0.929 . . . . 0.0 108.755 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.759 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.81 -38.35 76.57 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.686 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.435 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.4 mt -75.54 -28.69 59.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.385 -1.447 . . . . 0.0 110.853 -174.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.54 -39.4 70.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.414 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.25 62.98 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.33 -45.16 84.57 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.956 -1.098 . . . . 0.0 110.548 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.484 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.42 85.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.864 -1.147 . . . . 0.0 111.526 -177.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.84 61.67 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.113 -0.992 . . . . 0.0 110.224 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 -32.33 46.18 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.544 -0.723 . . . . 0.0 111.377 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.556 HD23 HD21 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.02 125.42 12.07 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 124.32 2.01 . . . . 0.0 112.921 178.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.278 -2.543 0 CA-C-N 111.124 -2.762 . . . . 0.0 110.186 -177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.521 ' O2 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.19 -27.68 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.52 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.3 mt-10 -59.29 -31.74 69.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.481 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.0 mt -38.37 -34.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.378 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.26 -47.26 80.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.927 0.394 . . . . 1.9399999999999999 110.266 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.3 tt0 -67.44 -34.84 78.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.19 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.479 HG11 HD11 ' A' ' 58' ' ' LEU . 70.6 t -64.17 -42.71 96.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.359 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 4' ' ' LEU . 91.9 t -60.38 -44.43 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.018 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.1 mtp -59.22 -41.85 89.64 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.532 -0.544 . . . . 0.17999999999999999 109.532 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.02 -42.41 98.21 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 11' ' ' LEU . 35.8 mt -63.56 -42.15 98.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.172 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -44.94 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.20000000000000001 109.811 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.86 -44.45 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.01 109.954 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.56 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.5 t-20 -60.5 -46.36 90.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.851 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.4 m -59.59 -43.81 93.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.967 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.537 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.38 -42.2 99.18 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.01 -42.41 99.82 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.67 -49.13 78.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.883 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -60.2 -45.98 91.3 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -55.1 -44.79 75.23 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.84 -42.57 99.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.728 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.561 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.68 -50.92 72.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.4 -42.48 91.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.578 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.58 90.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.715 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.48 86.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.662 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.28 -44.88 96.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.463 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.31 -42.68 74.02 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.0 -41.79 92.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.756 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.58 91.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.644 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.29 -30.04 70.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.171 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -80.11 -3.51 49.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.46 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.95 12.22 81.48 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -94.89 81.95 3.81 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.754 0.311 . . . . 0.0 110.306 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -64.65 -34.62 78.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.665 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.77 86.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.025 0.441 . . . . 0.0 110.739 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.77 81.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.301 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.05 -47.99 80.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.559 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.51 -43.06 99.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.612 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.44 98.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mmm -66.28 -42.06 88.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.585 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.1 mtm -63.87 -41.55 97.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.611 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.86 -46.32 89.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.02 0.438 . . . . 0.0 110.499 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.43 -40.87 98.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.126 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 41' ' ' MET . 79.4 p -61.28 -46.15 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.508 ' CZ ' ' NH1' ' A' ' 88' ' ' ARG . 62.9 ttm-85 -60.36 -42.61 96.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.296 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.2 mmm -61.48 -42.79 99.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.194 0.521 . . . . 0.0 110.56 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.73 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' A' ' 18' ' ' ALA . 87.6 mt -65.18 -39.83 93.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.09 -42.02 97.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.318 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.58 -39.75 91.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.216 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.12 -44.04 80.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.401 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.16 -37.86 88.91 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.046 -0.525 . . . . 0.089999999999999997 110.38 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.9 mt -61.37 -43.76 98.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.29 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.47 -43.31 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.718 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.37 -42.77 96.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -58.61 -41.74 86.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.059999999999999998 110.062 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.2 -38.81 92.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.943 0.402 . . . . 0.0 110.544 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 7' ' ' VAL . 96.8 mt -64.97 -26.98 68.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.634 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.523 HD11 ' OE1' ' A' ' 55' ' ' GLN . 96.7 mt -83.66 -30.36 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.072 -0.513 . . . . 0.050000000000000003 110.882 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -86.34 -13.45 46.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.458 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.68 67.68 0.55 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -79.37 169.03 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.25 143.09 58.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.497 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.04 -80.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -61.07 127.4 31.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.88 0.371 . . . . 0.0 110.643 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.06 20.16 65.67 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -62.03 135.18 57.42 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.763 0.316 . . . . 0.0 110.425 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.7 mtt -147.98 -164.72 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.666 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -91.58 -52.91 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.605 ' O ' HD21 ' B' ' 72' ' ' LEU . 13.1 m -112.53 132.38 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.684 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.2 p -118.72 154.62 32.46 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.17 -48.8 75.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.616 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 8' ' ' VAL . 54.5 t -62.85 -45.23 99.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.852 0.358 . . . . 0.0 110.521 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.718 ' CD2' HE22 ' A' ' 55' ' ' GLN . 77.8 mt -62.23 -40.52 96.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.077 0.465 . . . . 0.11 110.897 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 71' ' ' SER . 54.5 t -60.68 -48.35 89.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.747 -0.661 . . . . 0.38 110.149 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.69 -46.49 88.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.777 0.322 . . . . 0.0 110.34 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.65 99.51 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.759 0.314 . . . . 0.059999999999999998 110.635 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.4 ' OE1' HD23 ' B' ' 79' ' ' LEU . 52.3 tt0 -62.75 -39.2 93.41 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0900000000000001 110.199 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 83' ' ' THR . 38.0 tp -56.89 -46.26 82.03 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.372 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.524 ' CE1' ' O2 ' ' D' ' 200' ' ' PO3 . 63.3 m170 -67.16 -47.23 71.64 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.678 -0.409 . . . . 0.080000000000000002 110.725 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.27 -44.98 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.841 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -62.03 -43.17 99.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.214 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.1 p -64.59 -46.47 82.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.1 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -62.58 -49.04 76.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.1 ttp -57.95 -48.04 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.552 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.99 -45.26 94.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.117 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -47.76 84.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.843 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.508 ' NH1' ' CZ ' ' A' ' 45' ' ' ARG . 9.0 tmm_? -58.23 -45.96 86.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.065 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.503 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.8 mt-10 -61.4 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.122 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.38 -42.53 96.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.14 0.495 . . . . 0.0 109.84 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.561 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.3 mt -60.85 -42.46 92.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.292 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.8 m -57.99 -46.18 85.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.012 0.434 . . . . 0.0 109.914 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.575 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.0 mt-10 -63.37 -43.22 98.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.563 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.562 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 18.1 mt -59.25 -43.05 92.46 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.585 HD12 ' SD ' ' A' ' 41' ' ' MET . 88.8 mt -61.3 -42.46 93.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.559 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -62.54 -39.29 93.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.14 -41.63 98.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.83 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.5 m80 -60.82 -38.99 87.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.457 ' O ' ' O ' ' A' ' 102' ' ' LYS . 84.0 tt0 -62.18 -39.12 91.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.193 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.31 -38.66 90.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.198 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.02 -41.24 97.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.426 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 99' ' ' GLU . 68.6 mttm -92.8 140.38 29.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.489 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.573 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.18 -27.44 68.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.5 mt-10 -59.32 -31.54 69.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.492 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.642 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.7 mt -38.72 -34.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -64.45 -47.33 79.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.967 0.413 . . . . 1.9399999999999999 110.335 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.7 tt0 -67.06 -34.95 78.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.485 HG11 HD11 ' B' ' 58' ' ' LEU . 70.1 t -64.32 -42.58 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.38 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 4' ' ' LEU . 90.7 t -60.64 -44.43 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.88 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.3 mtp -59.14 -41.56 88.59 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.561 -0.533 . . . . 0.17999999999999999 109.561 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.59 97.61 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 11' ' ' LEU . 37.0 mt -63.35 -42.16 98.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.813 0.34 . . . . 0.0 110.347 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.486 HG12 ' HD1' ' B' ' 80' ' ' HIS . 95.9 mt -63.17 -44.98 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.933 -0.576 . . . . 0.28999999999999998 109.751 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.8 -44.43 98.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.993 -0.548 . . . . 0.02 109.884 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.553 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 50.9 t-20 -60.61 -46.19 91.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.763 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 51.2 m -59.62 -43.82 93.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.124 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.52 -41.82 99.11 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.2 -42.38 99.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.83 -49.21 78.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.88 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -60.04 -45.8 91.61 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -55.44 -44.72 76.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.72 -42.53 99.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.709 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.566 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.17 -50.55 73.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.503 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.66 -42.11 92.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.685 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.76 91.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.661 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.68 86.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.628 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.31 -44.91 96.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.302 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.33 -42.7 74.12 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -60.21 -41.36 92.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.868 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.68 92.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.703 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.13 -30.24 70.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.01 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -80.08 -3.32 48.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.8 12.11 81.86 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -94.77 82.07 3.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.844 0.354 . . . . 0.0 110.339 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -64.76 -34.91 79.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.594 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.21 -46.66 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.032 0.444 . . . . 0.0 110.78 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.51 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.45 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.05 79.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.494 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.41 -43.33 99.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.559 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.19 -42.52 99.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mmm -66.31 -42.11 88.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.579 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.9 mtm -63.72 -41.58 98.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.59 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -61.99 -46.29 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.13 -41.02 99.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.341 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' B' ' 41' ' ' MET . 79.0 p -61.16 -46.09 91.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.471 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.526 ' CZ ' ' NH1' ' B' ' 88' ' ' ARG . 62.8 ttm-85 -60.72 -42.15 96.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.279 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.66 -42.85 99.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.244 0.545 . . . . 0.0 110.612 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.38 99.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.175 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' B' ' 18' ' ' ALA . 87.1 mt -65.61 -39.53 91.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.751 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.404 ' HA ' HD22 ' B' ' 49' ' ' ASN . 10.0 m120 -61.34 -41.84 97.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.364 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.9 -39.43 90.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.169 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.553 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.18 -44.17 80.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.441 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.23 -37.9 89.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.089999999999999997 110.381 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.33 -43.65 98.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.48 -43.25 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.076 0.465 . . . . 0.0 110.019 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.709 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.49 -42.54 96.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -58.87 -41.89 88.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.059999999999999998 109.961 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -39.12 93.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.404 . . . . 0.0 110.554 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.485 HD11 HG11 ' B' ' 7' ' ' VAL . 96.9 mt -64.72 -27.11 68.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.711 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.537 HD11 ' OE1' ' B' ' 55' ' ' GLN . 96.7 mt -83.42 -30.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.067 -0.515 . . . . 0.040000000000000001 110.805 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -86.41 -13.78 45.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.49 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.09 67.79 0.54 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -79.7 169.09 18.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.514 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.37 143.29 57.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.21 -81.1 0.06 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.09 127.34 31.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 0.0 110.578 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.22 20.59 64.39 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -62.27 135.37 57.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.616 0.246 . . . . 0.0 110.464 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 65.5 mtt -148.27 -164.98 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.653 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -91.8 -52.52 4.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.611 ' O ' HD21 ' C' ' 72' ' ' LEU . 15.4 m -113.1 132.06 63.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.802 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.611 ' O ' HG23 ' B' ' 75' ' ' VAL . 7.0 p -118.17 157.43 26.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.534 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.605 HD21 ' O ' ' A' ' 70' ' ' VAL . 60.5 tp -59.36 -48.21 82.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.605 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.446 HG13 HG21 ' B' ' 8' ' ' VAL . 55.9 t -62.33 -45.06 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.594 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.709 ' CD2' HE22 ' B' ' 55' ' ' GLN . 76.6 mt -62.12 -40.75 96.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.169 0.509 . . . . 0.11 110.969 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 71' ' ' SER . 53.6 t -60.31 -47.98 90.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.264 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.447 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 61.4 t60 -59.03 -47.25 85.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.886 -0.326 . . . . 1.1100000000000001 110.309 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.62 99.59 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.916 0.389 . . . . 0.059999999999999998 110.461 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' C' ' 76' ' ' HIS . 52.3 tt0 -62.59 -39.24 93.11 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0900000000000001 110.229 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.45 ' O ' HG23 ' B' ' 83' ' ' THR . 38.0 tp -57.03 -45.94 82.74 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.393 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.486 ' HD1' HG12 ' B' ' 12' ' ' ILE . 63.4 m170 -67.54 -46.89 71.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.322 -0.399 . . . . 0.080000000000000002 110.69 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.46 -45.15 95.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.859 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -61.81 -43.48 98.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.248 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -64.3 -46.45 83.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.108 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -62.66 -48.86 77.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -58.19 -47.9 81.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.484 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.94 -45.38 93.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.59 84.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.905 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.526 ' NH1' ' CZ ' ' B' ' 45' ' ' ARG . 8.9 tmm_? -58.52 -45.55 88.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.258 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.447 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.4 mt-10 -61.66 -42.98 99.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.165 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.73 -42.33 95.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.076 0.465 . . . . 0.0 109.966 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.566 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.1 mt -61.08 -42.55 93.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.159 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.0 m -57.87 -46.22 85.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.009 0.433 . . . . 0.0 109.888 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.579 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.7 mt-10 -63.37 -43.14 98.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.506 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.575 HD13 ' OE1' ' A' ' 93' ' ' GLU . 18.5 mt -59.32 -43.09 92.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.579 HD12 ' SD ' ' B' ' 41' ' ' MET . 89.0 mt -61.47 -42.54 94.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.507 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -62.33 -39.25 92.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.17 -41.58 98.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.916 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 68.6 m80 -60.84 -38.97 87.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.754 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' B' ' 102' ' ' LYS . 84.6 tt0 -62.26 -39.31 92.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.108 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.02 -39.12 92.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.177 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.43 -41.8 98.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.377 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' B' ' 99' ' ' GLU . 68.5 mttm -92.69 140.42 29.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.6 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.511 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.37 -27.66 68.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.62 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.8 mt-10 -59.22 -31.41 69.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.343 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.657 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.6 mt -38.66 -34.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.423 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -64.46 -47.22 79.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 1.9399999999999999 110.328 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' C' ' 3' ' ' GLU . 81.6 tt0 -67.42 -34.62 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.314 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.471 HG11 HD11 ' C' ' 58' ' ' LEU . 70.5 t -64.54 -42.12 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.429 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.657 HG23 ' O ' ' C' ' 4' ' ' LEU . 91.0 t -61.12 -44.51 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.002 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.2 mtp -58.99 -42.02 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.555 -0.535 . . . . 0.17999999999999999 109.555 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -42.77 98.52 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' C' ' 11' ' ' LEU . 37.1 mt -63.19 -42.3 99.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.911 0.386 . . . . 0.0 110.401 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.494 HG12 ' HD1' ' C' ' 80' ' ' HIS . 96.2 mt -63.0 -44.88 99.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 0.29999999999999999 109.67 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.81 -44.25 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.055 -0.52 . . . . 0.02 109.993 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.542 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.7 t-20 -60.87 -46.3 91.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.813 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 51.7 m -59.45 -43.69 93.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.227 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.04 98.88 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.21 -42.24 99.26 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.492 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.69 -49.32 78.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.764 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -60.08 -46.08 90.75 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -55.13 -44.96 75.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 21' ' ' LEU . 87.5 mt -62.46 -42.72 99.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.69 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.55 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.95 -50.93 72.19 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.447 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.0 m-85 -59.36 -42.52 91.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.52 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.7 90.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.51 85.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.627 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.42 -44.92 96.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.338 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.34 -42.7 74.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.1 -41.51 92.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.878 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.92 91.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.839 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.13 -30.17 70.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.097 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -79.83 -3.76 49.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.428 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.1 12.04 81.54 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -94.56 82.43 3.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.792 0.33 . . . . 0.0 110.293 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -65.27 -34.47 78.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.518 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.38 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.064 0.459 . . . . 0.0 110.753 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.53 80.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.345 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.28 -48.06 79.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.527 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.3 -43.4 98.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.583 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.67 99.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.78 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.8 mmm -66.06 -42.06 89.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.582 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.6 mtm -63.9 -41.65 97.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.646 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.81 -46.4 89.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.476 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.09 -41.11 99.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.286 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.2 p -61.0 -46.2 91.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.476 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.517 ' CZ ' ' NH1' ' C' ' 88' ' ' ARG . 63.0 ttm-85 -60.57 -42.23 96.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.334 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.66 -42.81 99.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.323 0.582 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.39 99.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.362 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.492 HD21 ' CB ' ' C' ' 18' ' ' ALA . 87.4 mt -65.65 -39.44 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.726 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.77 -41.5 97.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.315 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.92 -39.66 90.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.024 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.542 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.2 -44.63 79.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.37 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.44 ' CD2' ' HA ' ' D' ' 312' ' ' ASN . 82.1 t60 -62.58 -37.82 87.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.089999999999999997 110.305 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -61.54 -43.56 98.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.808 0.337 . . . . 0.0 110.328 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.39 -43.44 94.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.996 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.731 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -60.39 -42.81 96.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.226 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 1.027 HG21 HG22 ' D' ' 356' ' ' THR . 18.3 m -58.63 -41.92 87.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.059999999999999998 110.159 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.98 -39.03 93.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.522 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.471 HD11 HG11 ' C' ' 7' ' ' VAL . 96.8 mt -64.77 -26.97 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.822 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.549 HD11 ' OE1' ' C' ' 55' ' ' GLN . 96.7 mt -83.51 -30.23 7.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.059999999999999998 110.819 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.539 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.3 mm-40 -86.61 -13.59 45.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.23 67.53 0.55 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -79.33 169.29 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.561 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.61 143.39 57.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.37 -80.98 0.06 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.04 127.52 31.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.56 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 20.65 64.74 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -62.08 135.2 57.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.635 0.255 . . . . 0.0 110.497 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 65.3 mtt -148.33 -164.84 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.04 -52.17 4.84 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 15.2 m -113.35 132.07 63.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.704 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.613 ' O ' HG23 ' C' ' 75' ' ' VAL . 7.3 p -117.66 159.41 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.544 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.611 HD21 ' O ' ' B' ' 70' ' ' VAL . 54.4 tp -59.02 -48.38 81.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.728 -177.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.465 HG13 HG21 ' C' ' 8' ' ' VAL . 54.6 t -63.87 -45.15 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 130.108 3.363 . . . . 0.0 110.627 -178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.731 ' CD2' HE22 ' C' ' 55' ' ' GLN . 78.0 mt -64.29 -40.26 95.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.13 0.491 . . . . 0.11 110.933 177.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.613 HG23 ' O ' ' C' ' 71' ' ' SER . 53.2 t -60.84 -48.43 88.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.788 -0.642 . . . . 0.40000000000000002 110.165 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.435 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 61.9 t60 -59.04 -47.39 85.38 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.926 -0.31 . . . . 1.02 110.362 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.34 99.58 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.841 0.353 . . . . 0.059999999999999998 110.423 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.55 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 52.1 tt0 -62.79 -39.21 93.51 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.198 -0.455 . . . . 1.0900000000000001 110.204 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.442 ' O ' HG23 ' C' ' 83' ' ' THR . 36.7 tp -56.86 -46.41 81.79 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.551 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.494 ' HD1' HG12 ' C' ' 12' ' ' ILE . 63.2 m170 -66.98 -47.34 71.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.405 . . . . 0.080000000000000002 110.761 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.07 -45.29 95.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.845 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.68 -43.43 98.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.355 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.442 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.9 p -64.32 -46.62 82.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.241 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.8 t -62.46 -48.56 79.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -58.47 -47.91 82.51 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.503 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.87 -45.08 95.32 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.181 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.87 83.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.869 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.517 ' NH1' ' CZ ' ' C' ' 45' ' ' ARG . 8.9 tmm_? -58.25 -45.7 87.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.238 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.27 -43.52 98.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.197 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.4 -42.45 96.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 109.949 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.55 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.7 mt -60.83 -42.45 92.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.351 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.5 m -58.24 -45.61 87.43 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.586 -0.445 . . . . 0.0 109.966 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.94 -43.0 97.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.508 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.579 HD13 ' OE1' ' B' ' 93' ' ' GLU . 18.7 mt -59.25 -43.06 92.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.582 HD12 ' SD ' ' C' ' 41' ' ' MET . 88.5 mt -61.38 -42.66 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.588 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.2 -39.16 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.31 -41.55 98.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.863 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.7 m80 -60.86 -39.21 88.26 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.8 tt0 -61.97 -39.53 92.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.077 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.87 -39.06 92.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.235 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.53 -41.7 98.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.305 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' C' ' 99' ' ' GLU . 68.5 mttm -92.73 140.22 29.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.557 179.838 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 121.913 0.863 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.8 143.0 36.66 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.01 156.27 38.51 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.073 -1.017 . . . . 0.0 109.576 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.08 149.24 28.6 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.26 152.37 18.93 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.03 -1.044 . . . . 0.0 108.407 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.91 144.37 19.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.3 m -96.66 136.63 36.92 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 122.085 0.945 . . . . 0.0 110.116 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.94 114.32 24.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.9 -4.3 19.31 Favored 'General case' 0 C--N 1.264 -3.115 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.81 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.84 85.88 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 119.718 -1.864 . . . . 0.0 110.593 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.51 -47.64 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 124.652 3.568 . . . . 0.0 114.198 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.44 ' HA ' ' CD2' ' C' ' 52' ' ' HIS . 99.4 m-20 -102.15 27.57 6.55 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 116.061 -2.256 . . . . 0.0 108.763 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.44 -121.42 15.24 Favored Glycine 0 N--CA 1.495 2.607 0 C-N-CA 117.729 -2.176 . . . . 0.0 109.637 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.725 HD11 HD23 ' D' ' 384' ' ' LEU . 3.3 tp -135.06 75.48 1.57 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.995 -1.297 . . . . 0.0 109.517 -176.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.47 175.64 9.66 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 117.879 -1.529 . . . . 0.0 112.161 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.7 p -21.8 -71.31 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 -176.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.537 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 14.7 ttt-85 -43.37 -66.63 0.42 Allowed Pre-proline 0 N--CA 1.493 1.676 0 C-N-CA 120.211 -0.596 . . . . 0.0 112.483 -177.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.52 -32.24 59.56 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.394 1.396 . . . . 0.0 111.516 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.528 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.84 86.78 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.227 -0.921 . . . . 0.0 109.473 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.76 72.55 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.96 -39.4 94.06 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 117.993 -1.483 . . . . 0.0 109.48 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.71 -45.24 93.67 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 122.559 1.171 . . . . 0.0 108.726 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.528 HG23 ' O ' ' D' ' 319' ' ' ALA . 71.3 t -62.67 -42.28 95.45 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.25 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.631 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -63.9 -40.25 96.07 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 109.768 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.83 -39.63 79.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.486 -0.759 . . . . 0.0 109.589 177.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.95 92.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.607 -1.308 . . . . 0.0 109.403 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.3 -16.24 43.78 Favored 'General case' 0 N--CA 1.51 2.571 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.53 86.15 Favored Glycine 0 N--CA 1.478 1.462 0 O-C-N 119.881 -1.762 . . . . 0.0 109.284 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 93.0 m-85 -103.55 143.41 32.77 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.251 -1.735 . . . . 0.0 109.963 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.9 p -75.6 -30.08 59.46 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.25 -0.906 . . . . 0.0 112.338 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.64 9.99 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 119.88 -1.762 . . . . 0.0 112.787 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.04 130.31 35.38 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 171.225 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.76 136.62 60.26 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.391 0 CA-C-O 122.252 1.025 . . . . 0.0 109.238 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.94 143.2 51.0 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-O 123.067 1.413 . . . . 0.0 109.969 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.6 t -108.17 129.96 61.55 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.723 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 173.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.4 m -127.46 119.6 26.48 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.776 -1.202 . . . . 0.0 108.953 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.59 122.58 39.18 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.568 -0.708 . . . . 0.0 109.864 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.79 38.89 24.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.828 -1.17 . . . . 0.0 112.754 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.08 83.46 Favored Glycine 0 N--CA 1.502 3.094 0 O-C-N 119.97 -1.706 . . . . 0.0 112.502 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.87 136.24 54.57 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.8 158.49 33.24 Favored 'General case' 0 C--N 1.275 -2.637 0 CA-C-O 123.76 1.743 . . . . 0.0 112.429 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.6 151.4 31.48 Favored 'General case' 0 C--N 1.278 -2.516 0 CA-C-N 112.477 -2.147 . . . . 0.0 108.598 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.59 135.93 48.83 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.99 -6.72 47.32 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.711 -1.243 . . . . 0.0 110.709 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.53 12.99 31.54 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.652 -1.28 . . . . 0.0 109.356 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 90.6 p -133.12 104.16 6.37 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.171 0.986 . . . . 0.0 110.118 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.22 -37.89 72.91 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.011 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -58.91 -51.3 70.61 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.604 -1.31 . . . . 0.0 113.085 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -70.17 -32.37 70.29 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 119.614 -1.929 . . . . 0.0 109.197 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.81 -33.76 75.88 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.923 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.539 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.63 -10.44 52.23 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.698 -0.626 . . . . 0.0 109.963 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 43.0 p -89.82 -7.73 53.67 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 118.061 -1.456 . . . . 0.0 110.885 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.31 159.31 15.32 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.236 -0.915 . . . . 0.0 110.129 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.8 2.96 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 106.873 -2.491 . . . . 0.0 106.873 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.5 47.31 1.73 Allowed 'General case' 0 C--N 1.309 -1.178 0 O-C-N 120.711 -1.464 . . . . 0.0 107.454 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 1.027 HG22 HG21 ' C' ' 56' ' ' THR . 2.7 p -81.36 172.51 13.48 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 118.816 -1.153 . . . . 0.0 109.251 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.64 140.84 57.29 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.828 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.24 78.82 Favored Glycine 0 N--CA 1.5 2.935 0 C-N-CA 120.068 -1.063 . . . . 0.0 111.36 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.4 135.88 34.09 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.906 -1.349 . . . . 0.0 110.635 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.48 123.74 48.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.484 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.23 160.09 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.598 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.91 128.4 54.89 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.509 -1.37 . . . . 0.0 107.545 175.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.87 121.43 60.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.66 147.22 50.73 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 118.524 -1.27 . . . . 0.0 109.758 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.28 110.73 6.37 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 118.566 -1.254 . . . . 0.0 108.05 178.195 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.2 40.13 Favored Glycine 0 C--N 1.296 -1.663 0 C-N-CA 118.018 -2.039 . . . . 0.0 110.434 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.42 -40.62 82.97 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 114.474 -0.863 . . . . 0.0 112.167 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.04 36.76 3.56 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 115.919 -2.312 . . . . 0.0 108.537 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.36 -33.59 65.82 Favored 'General case' 0 N--CA 1.522 3.175 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.452 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.64 27.64 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 119.629 -1.919 . . . . 0.0 110.975 -176.51 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.826 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.71 97.77 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.52 77.55 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.477 -1.689 . . . . 0.0 109.985 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.75 -42.27 89.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-O 122.275 1.036 . . . . 0.0 109.257 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.95 -47.83 76.88 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-O 121.993 0.901 . . . . 0.0 108.697 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.826 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.83 -38.25 76.46 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.751 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' D' ' 377' ' ' LEU . 79.8 mt -75.67 -28.59 58.77 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.329 -1.482 . . . . 0.0 110.854 -174.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.56 -39.35 70.11 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.423 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -68.02 -49.2 62.95 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.25 84.28 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.496 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.484 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.31 85.27 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.874 -1.141 . . . . 0.0 111.548 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.81 61.59 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.103 -0.998 . . . . 0.0 110.289 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.28 45.83 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.565 -0.709 . . . . 0.0 111.358 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.725 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.05 125.54 12.39 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 124.314 2.007 . . . . 0.0 112.868 178.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.81 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 96.1 mt-10 . . . . . 0 C--N 1.278 -2.529 0 CA-C-N 111.116 -2.765 . . . . 0.0 110.116 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.55 ' O1 ' ' NE2' ' C' ' 78' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.94 -36.37 72.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' GLU . 83.7 tt0 -58.5 -76.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.477 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 8' ' ' VAL . 94.3 mt -37.87 -38.45 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.88 -46.77 80.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.909 0.385 . . . . 1.9399999999999999 110.281 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.8 tt0 -68.15 -36.63 79.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.276 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.44 HG11 HD11 ' A' ' 58' ' ' LEU . 97.2 t -63.22 -42.55 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.411 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 4' ' ' LEU . 70.0 t -60.73 -43.75 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.963 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.454 ' CE ' HD22 ' D' ' 347' ' ' LEU . 91.6 mtp -59.01 -41.75 88.48 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.559 -0.534 . . . . 0.17999999999999999 109.559 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.48 -41.25 98.05 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD13 ' OE1' ' A' ' 55' ' ' GLN . 83.5 mt -62.85 -43.16 99.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.145 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.76 -44.41 99.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.057 -0.52 . . . . 0.20000000000000001 109.738 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.521 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.0 mt -63.78 -44.64 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.01 109.992 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.74 -46.93 88.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.782 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -59.64 -43.74 93.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.972 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.26 99.71 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.4 mm-40 -64.13 -42.36 96.86 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.17 -49.82 76.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.837 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.619 HH12 ' HB2' ' A' ' 87' ' ' ALA . 62.9 ttm-85 -60.44 -46.95 88.2 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.1 p -54.82 -44.18 73.63 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.6 -42.43 98.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.708 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.6 -51.2 70.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.46 -42.5 92.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.605 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.98 92.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.809 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.89 89.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.683 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.24 -45.13 95.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.476 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -56.09 -41.87 75.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.02 -42.09 97.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.783 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.9 93.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.8 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.59 -29.44 70.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.103 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -80.59 -4.43 54.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.519 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 14.6 69.92 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.21 79.43 2.56 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.797 0.332 . . . . 0.0 110.266 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -64.63 -34.52 78.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.696 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -48.16 80.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.026 0.441 . . . . 0.0 110.803 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.81 82.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.416 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.89 81.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.35 -42.18 99.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.649 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.1 98.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.772 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.5 mmm -65.11 -40.19 94.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.487 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.596 ' HE1' HG23 ' A' ' 92' ' ' THR . 91.8 mtp -63.25 -41.23 99.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.587 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.41 -44.64 96.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 0.0 110.521 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -63.32 -41.77 98.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.243 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.2 m -60.36 -46.54 89.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.523 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 71.5 ttt180 -60.22 -42.78 95.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.237 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.4 ttp -60.74 -43.97 97.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.197 0.522 . . . . 0.0 110.553 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.68 97.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.148 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.469 HD21 ' CB ' ' A' ' 18' ' ' ALA . 92.6 mt -65.55 -40.54 92.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.639 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.06 -42.57 98.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.176 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -65.26 -40.02 93.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.205 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -45.66 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.45 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -61.05 -39.48 89.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.058 -0.519 . . . . 0.089999999999999997 110.443 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.6 mt -60.34 -44.4 95.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.313 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.21 -42.87 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.066 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.457 HE22 HD23 ' A' ' 74' ' ' LEU . 68.1 tp60 -60.39 -43.63 96.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.248 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 92.5 m -57.03 -43.36 81.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.059999999999999998 110.019 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.87 -39.37 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.599 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.44 HD11 HG11 ' A' ' 7' ' ' VAL . 97.8 mt -64.65 -30.31 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.67 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.407 ' CG1' HD22 ' A' ' 74' ' ' LEU . 96.5 mt -85.5 -32.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.050000000000000003 110.775 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -84.89 -6.65 59.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.49 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.27 115.0 0.64 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.544 ' CG ' ' H ' ' A' ' 63' ' ' ALA . 67.3 t0 -158.09 -124.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.673 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.544 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . -65.47 145.3 56.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.49 -76.47 1.33 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.13 124.39 22.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 110.69 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.15 28.78 73.22 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -54.57 124.28 15.75 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.648 0.261 . . . . 0.0 110.492 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -107.27 137.48 45.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.567 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.97 -44.5 96.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG11 ' CB ' ' B' ' 76' ' ' HIS . 3.4 m -110.52 129.56 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.724 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 75' ' ' VAL . 83.9 p -131.51 164.74 25.13 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 115.23 1.566 . . . . 0.0 115.23 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 72' ' ' LEU . 36.4 mt -57.74 -46.14 84.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.642 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' A' ' 8' ' ' VAL . 78.2 t -65.64 -48.08 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.547 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.457 HD23 HE22 ' A' ' 55' ' ' GLN . 85.2 mt -63.94 -42.32 97.36 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.983 0.42 . . . . 0.11 110.875 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 71' ' ' SER . 52.3 t -60.8 -47.74 91.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.806 -0.634 . . . . 0.38 110.155 -178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -59.03 -46.48 88.11 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.325 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.06 -43.28 95.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.496 -0.32 . . . . 0.059999999999999998 110.667 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.34 -40.3 95.92 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0900000000000001 110.145 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 83' ' ' THR . 40.3 tp -56.97 -46.5 82.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.404 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CE1' ' O3 ' ' D' ' 200' ' ' PO3 . 86.7 m-70 -67.52 -47.14 70.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.328 -0.396 . . . . 0.080000000000000002 110.722 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.32 -46.2 91.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.53 -43.43 98.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.224 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 79' ' ' LEU . 25.4 p -62.64 -44.85 95.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.073 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.3 m -62.29 -48.22 80.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.424 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -58.13 -47.83 82.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.515 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.56 -44.32 97.24 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.055 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.619 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -57.39 -47.97 80.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.784 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 69.5 ttt-85 -58.92 -45.02 91.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.092 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -60.85 -43.9 97.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.108 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -64.48 -41.93 96.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.095 0.474 . . . . 0.0 109.86 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.625 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 74.5 mt -60.14 -41.31 86.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.297 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.596 HG23 ' HE1' ' A' ' 41' ' ' MET . 68.9 m -57.26 -45.71 83.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.45 . . . . 0.0 109.902 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.23 -43.73 97.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.549 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 87.4 mt -59.98 -43.66 94.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.445 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 91.2 mt -61.76 -43.32 97.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.518 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.49 -40.11 90.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 97' ' ' LEU . 83.4 mt -62.61 -41.67 99.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.878 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 63.7 m80 -59.16 -40.5 85.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 81.8 tt0 -61.63 -39.88 92.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.138 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.72 -37.37 87.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.41 135.16 49.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.393 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 55.94 14.84 1.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.579 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.554 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -57.52 -36.4 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' B' ' 6' ' ' GLU . 84.2 tt0 -58.41 -76.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.644 ' O ' HG23 ' B' ' 8' ' ' VAL . 94.5 mt -37.89 -38.02 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -65.17 -46.98 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.97 0.414 . . . . 1.9399999999999999 110.319 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.1 tt0 -67.61 -36.75 81.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.198 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.432 HG11 HD11 ' B' ' 58' ' ' LEU . 98.1 t -63.42 -42.51 96.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.376 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.644 HG23 ' O ' ' B' ' 4' ' ' LEU . 70.1 t -60.89 -43.59 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.866 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.5 mtp -59.19 -41.62 88.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.535 -0.542 . . . . 0.17999999999999999 109.535 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -41.33 97.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.417 HD13 ' OE1' ' B' ' 55' ' ' GLN . 84.5 mt -62.62 -43.3 99.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.383 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.99 -44.1 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.952 -0.567 . . . . 0.28999999999999998 109.729 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.82 -44.12 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.02 109.922 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.68 -45.9 92.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -60.51 -43.29 97.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.116 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.18 -42.38 99.42 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.6 mm-40 -63.9 -42.65 97.38 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.91 -49.63 77.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.937 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.59 HH12 ' HB2' ' B' ' 87' ' ' ALA . 62.7 ttm-85 -60.49 -47.02 87.97 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 77.9 p -54.86 -44.41 73.98 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.29 -42.58 99.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.714 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.637 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.73 -51.18 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.401 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.4 -42.44 91.76 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.642 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.02 92.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.675 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.7 89.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.657 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.35 -45.5 94.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.308 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.94 -41.75 75.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.17 -42.04 97.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.944 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.61 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.695 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.0 -29.56 69.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.035 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.83 -4.29 54.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.297 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.75 14.26 70.61 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -97.87 79.54 2.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.346 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.94 -34.41 78.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.606 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.56 79.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.036 0.446 . . . . 0.0 110.798 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.77 81.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.415 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.4 -47.97 81.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.571 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.32 -42.45 99.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.613 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.11 99.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.752 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.7 mmm -65.25 -40.28 93.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.558 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.541 ' HE1' HG23 ' B' ' 92' ' ' THR . 91.7 mtp -62.92 -41.44 99.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.547 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -61.21 -45.15 95.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.93 -41.56 99.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -60.67 -46.37 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.486 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -60.36 -42.7 96.34 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.249 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -60.53 -44.34 96.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.299 0.571 . . . . 0.0 110.636 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.63 98.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.203 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' B' ' 18' ' ' ALA . 92.3 mt -65.62 -40.78 92.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.737 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.79 -42.42 97.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.335 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.49 -39.87 92.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.204 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -45.62 76.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.515 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -61.38 -39.25 89.97 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.089999999999999997 110.292 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 53' ' ' LEU . 39.3 mt -60.5 -44.07 96.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.407 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.59 -43.3 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.09 0.472 . . . . 0.0 109.965 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.455 HE22 HD23 ' B' ' 74' ' ' LEU . 68.2 tp60 -59.78 -43.8 94.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.252 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -56.93 -43.64 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.059999999999999998 110.056 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.55 -39.84 94.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.938 0.399 . . . . 0.0 110.554 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.432 HD11 HG11 ' B' ' 7' ' ' VAL . 97.1 mt -64.09 -30.76 71.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.418 ' CG1' HD22 ' B' ' 74' ' ' LEU . 96.4 mt -84.8 -32.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.103 -0.499 . . . . 0.040000000000000001 110.787 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -84.56 -6.76 59.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.2 114.6 0.62 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' B' ' 63' ' ' ALA . 66.9 t0 -157.91 -123.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.334 . . . . 0.0 110.618 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.526 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . -65.92 145.27 56.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.484 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.13 -77.0 1.34 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.91 125.06 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.601 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.57 28.99 73.58 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -54.55 125.0 17.94 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.595 0.236 . . . . 0.0 110.478 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -108.16 138.07 45.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.654 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.73 -43.57 98.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.452 HG11 ' CB ' ' C' ' 76' ' ' HIS . 4.0 m -111.76 129.51 67.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.714 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.592 ' O ' HG23 ' B' ' 75' ' ' VAL . 88.1 p -131.41 166.19 21.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.562 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 72' ' ' LEU . 40.3 mt -59.68 -46.12 90.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.638 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' B' ' 8' ' ' VAL . 75.4 t -64.63 -47.47 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.54 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.455 HD23 HE22 ' B' ' 55' ' ' GLN . 85.5 mt -64.39 -42.05 96.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.069 0.461 . . . . 0.11 110.991 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 71' ' ' SER . 52.8 t -60.89 -47.02 95.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.862 -0.608 . . . . 0.38 110.288 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.684 ' CE1' ' HE2' ' B' ' 80' ' ' HIS . 59.1 t-80 -59.65 -46.64 88.42 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.854 -0.338 . . . . 1.1100000000000001 110.299 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.88 97.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.828 0.346 . . . . 0.059999999999999998 110.389 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.53 -40.62 97.36 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.209 -0.451 . . . . 1.0900000000000001 110.244 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.585 ' O ' HG23 ' B' ' 83' ' ' THR . 40.2 tp -56.82 -46.28 81.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.684 ' HE2' ' CE1' ' B' ' 76' ' ' HIS . 87.2 m-70 -67.77 -47.08 70.2 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.728 -0.389 . . . . 0.080000000000000002 110.72 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.34 -46.67 89.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -60.86 -43.93 97.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.257 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.585 HG23 ' O ' ' B' ' 79' ' ' LEU . 25.1 p -62.27 -45.12 94.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.116 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 71.8 m -61.81 -48.36 80.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -58.09 -47.93 81.71 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.503 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.44 -44.14 97.64 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.082 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.59 ' HB2' HH12 ' B' ' 19' ' ' ARG . . . -57.75 -47.7 81.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.846 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -59.09 -44.92 91.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.187 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.91 -43.9 97.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.175 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.47 -41.69 96.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.052 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.637 HD12 ' HB1' ' B' ' 22' ' ' ALA . 76.2 mt -60.29 -41.45 87.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.278 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.541 HG23 ' HE1' ' B' ' 41' ' ' MET . 68.2 m -57.13 -45.49 83.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.098 0.475 . . . . 0.0 109.868 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.61 -43.63 96.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.548 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.563 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.9 mt -59.88 -43.62 94.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.453 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.5 mt -62.06 -43.0 97.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.51 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.75 -40.33 92.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.52 -41.27 98.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.83 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.5 m80 -59.34 -40.6 86.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' B' ' 103' ' ' ALA . 81.9 tt0 -61.53 -39.9 92.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.063 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.92 -37.18 86.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.207 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.4 135.24 50.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.373 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 55.89 14.89 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.507 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -57.85 -36.39 72.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.589 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' C' ' 6' ' ' GLU . 84.3 tt0 -58.23 -76.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.352 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.654 ' O ' HG23 ' C' ' 8' ' ' VAL . 94.2 mt -37.72 -38.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.356 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -65.18 -46.57 80.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 1.9399999999999999 110.373 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' C' ' 3' ' ' GLU . 81.5 tt0 -67.97 -36.61 80.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.288 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.428 HG11 HD11 ' C' ' 58' ' ' LEU . 94.4 t -63.43 -42.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.315 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.654 HG23 ' O ' ' C' ' 4' ' ' LEU . 70.9 t -60.97 -43.53 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.991 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mtp -59.27 -41.42 88.84 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.591 -0.522 . . . . 0.17999999999999999 109.591 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.59 -41.5 97.8 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.41 HD13 ' OE1' ' C' ' 55' ' ' GLN . 84.9 mt -62.85 -43.0 99.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.92 -44.38 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.549 . . . . 0.29999999999999999 109.78 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.73 -44.31 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.02 110.001 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.1 -46.5 90.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.872 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -60.13 -43.34 95.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.225 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.9 99.32 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -64.37 -42.39 96.19 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.24 -49.52 77.51 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.604 HH12 ' HB2' ' C' ' 87' ' ' ALA . 63.0 ttm-85 -60.59 -47.0 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.8 p -55.03 -44.01 74.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.53 -42.4 98.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.744 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -60.04 -50.77 72.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.72 -42.57 93.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.547 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.79 92.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.746 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.77 89.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.578 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.51 -45.31 94.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.398 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -56.0 -41.68 75.25 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.37 -41.81 97.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.907 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.13 93.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.858 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.62 -29.4 70.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.081 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -80.57 -4.35 53.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.426 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.81 14.34 70.25 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.2 79.4 2.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.8 0.333 . . . . 0.0 110.231 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -64.57 -34.68 78.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.518 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.92 81.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.982 0.42 . . . . 0.0 110.628 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.46 80.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.395 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.89 80.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.429 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.13 -42.44 99.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.597 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.26 99.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.729 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.3 mmm -65.34 -40.37 93.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.54 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.568 ' HE1' HG23 ' C' ' 92' ' ' THR . 91.9 mtp -62.82 -41.42 99.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.36 -45.19 95.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 0.0 110.384 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.95 -41.45 99.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.311 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m -60.76 -46.24 91.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.545 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.407 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 72.2 ttt180 -60.45 -42.79 96.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.329 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.7 ttp -60.47 -44.45 95.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.342 0.591 . . . . 0.0 110.54 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.66 97.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.305 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' C' ' 18' ' ' ALA . 92.2 mt -64.65 -41.05 96.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.688 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.75 -42.88 98.26 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.305 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -64.9 -40.13 94.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.991 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.8 76.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.396 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.569 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.2 t-80 -61.49 -39.0 89.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.089999999999999997 110.301 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.53 -44.01 96.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.267 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.57 -43.16 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.105 0.478 . . . . 0.0 109.99 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.469 HE22 HD23 ' C' ' 74' ' ' LEU . 68.1 tp60 -60.05 -43.71 95.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.182 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.867 HG21 HG22 ' D' ' 356' ' ' THR . 94.1 m -57.05 -43.42 81.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.375 -0.375 . . . . 0.059999999999999998 110.093 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . 0.545 ' NZ ' HG21 ' D' ' 356' ' ' THR . 14.5 mptt -62.97 -39.2 93.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.491 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' C' ' 4' ' ' LEU . 97.3 mt -64.58 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.728 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.426 ' CG1' HD22 ' C' ' 74' ' ' LEU . 96.5 mt -85.22 -32.57 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.999 -0.546 . . . . 0.059999999999999998 110.748 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.583 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 80.0 mm-40 -84.73 -6.34 59.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.437 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.43 114.92 0.63 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' C' ' 63' ' ' ALA . 67.4 t0 -158.41 -123.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 110.429 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.533 ' H ' ' CG ' ' C' ' 62' ' ' ASP . . . -66.11 145.16 56.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.473 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.14 -76.9 1.33 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.77 125.22 24.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.31 . . . . 0.0 110.584 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.4 28.81 73.68 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -54.37 124.85 17.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.613 0.244 . . . . 0.0 110.548 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -108.25 138.06 45.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.46 ' NZ ' ' CB ' ' D' ' 351' ' ' GLN . 68.5 mttm -62.53 -43.84 97.81 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 m -111.39 128.93 67.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.75 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.597 ' O ' HG23 ' C' ' 75' ' ' VAL . 87.8 p -130.19 168.24 17.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.33 -44.5 97.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.722 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.573 HG13 HG21 ' C' ' 8' ' ' VAL . 68.5 t -66.73 -47.97 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 130.109 3.364 . . . . 0.0 110.572 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.469 HD23 HE22 ' C' ' 55' ' ' GLN . 85.7 mt -66.36 -41.64 89.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.11 111.004 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.597 HG23 ' O ' ' C' ' 71' ' ' SER . 54.1 t -61.26 -47.7 92.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.883 -0.599 . . . . 0.40000000000000002 110.242 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.675 ' CE1' ' HE2' ' C' ' 80' ' ' HIS . 59.1 t-80 -59.5 -46.64 88.24 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.876 -0.33 . . . . 1.02 110.241 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.79 96.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.941 0.4 . . . . 0.059999999999999998 110.458 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.607 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 52.2 tt0 -62.68 -40.51 97.33 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0900000000000001 110.249 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.594 ' O ' HG23 ' C' ' 83' ' ' THR . 39.2 tp -56.65 -46.49 81.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.498 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.675 ' HE2' ' CE1' ' C' ' 76' ' ' HIS . 87.1 m-70 -67.68 -47.16 70.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.080000000000000002 110.755 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.32 -46.29 90.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.797 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.38 -43.49 98.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.393 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.594 HG23 ' O ' ' C' ' 79' ' ' LEU . 26.4 p -62.44 -45.19 94.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.147 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 70.1 m -61.93 -48.16 81.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.655 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -58.11 -48.08 81.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.56 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.29 -44.43 97.24 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.097 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.604 ' HB2' HH12 ' C' ' 19' ' ' ARG . . . -57.33 -48.01 80.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.918 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 69.1 ttt-85 -58.86 -45.13 90.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.22 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.35 -44.42 95.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.157 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.2 -41.83 96.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 110.033 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.6 mt -60.08 -41.7 87.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.363 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.568 HG23 ' HE1' ' C' ' 41' ' ' MET . 69.8 m -56.79 -45.67 82.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.025 0.44 . . . . 0.0 109.992 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.47 -43.58 96.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.499 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.574 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.2 mt -59.91 -43.6 94.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.302 0.572 . . . . 0.0 109.523 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.449 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 90.8 mt -61.95 -43.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.523 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.66 -40.41 91.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.23 -41.53 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.919 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.9 m80 -59.23 -40.79 87.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.726 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' C' ' 103' ' ' ALA . 81.9 tt0 -61.35 -39.64 91.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.095 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.04 -37.45 87.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.222 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.31 135.21 50.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 56.12 14.89 1.61 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.579 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 121.856 0.836 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.81 142.99 36.63 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.99 156.33 38.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.974 -1.079 . . . . 0.0 109.5 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.24 28.56 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.33 18.96 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.067 -1.021 . . . . 0.0 108.347 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.81 144.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.7 136.6 37.01 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.096 0.95 . . . . 0.0 110.15 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.95 114.33 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.89 -4.32 19.3 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.86 85.85 Favored Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 119.706 -1.871 . . . . 0.0 110.594 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.48 -47.68 12.84 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 124.709 3.606 . . . . 0.0 114.178 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.569 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 97.6 m-20 -102.1 27.52 6.56 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 116.04 -2.264 . . . . 0.0 108.783 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.18 -123.96 24.51 Favored Glycine 0 N--CA 1.497 2.761 0 C-N-CA 117.627 -2.225 . . . . 0.0 109.577 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.719 HD11 HD23 ' D' ' 384' ' ' LEU . 3.0 tp -129.97 81.58 2.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.905 -1.35 . . . . 0.0 109.514 -176.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -85.45 174.62 9.38 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.865 -1.534 . . . . 0.0 112.173 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.525 ' OG1' ' O3 ' ' D' ' 200' ' ' PO3 . 69.8 p -26.41 -58.36 0.08 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -176.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -53.94 -64.72 1.61 Allowed Pre-proline 0 N--CA 1.492 1.633 0 C-N-CA 120.212 -0.595 . . . . 0.0 112.5 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.45 -32.23 60.31 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.156 1.904 . . . . 0.0 111.539 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.481 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.81 86.7 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.525 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.521 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.68 72.42 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.96 -39.37 93.99 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 117.968 -1.493 . . . . 0.0 109.442 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.72 -45.31 93.34 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 122.622 1.201 . . . . 0.0 108.702 -177.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.481 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.3 t -62.57 -42.27 95.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.238 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.708 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -63.91 -40.25 96.05 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.269 -0.894 . . . . 0.0 109.737 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.527 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.8 -39.72 79.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.387 -0.82 . . . . 0.0 109.564 177.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.0 91.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.659 -1.276 . . . . 0.0 109.448 178.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.28 -16.25 43.64 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.44 86.2 Favored Glycine 0 N--CA 1.479 1.509 0 O-C-N 119.885 -1.759 . . . . 0.0 109.299 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.423 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.54 143.32 32.89 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.245 -1.738 . . . . 0.0 109.996 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.59 -30.05 59.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.18 -0.95 . . . . 0.0 112.377 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.52 10.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 119.799 -1.813 . . . . 0.0 112.751 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.27 35.39 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 102.877 -3.008 . . . . 0.0 102.877 171.179 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.7 136.55 60.47 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 O-C-N 121.125 -0.985 . . . . 0.0 109.314 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.94 143.12 51.04 Favored 'General case' 0 C--N 1.284 -2.239 0 CA-C-O 123.102 1.43 . . . . 0.0 110.014 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.02 129.91 61.4 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.71 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.3 m -127.47 119.55 26.36 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.965 -1.084 . . . . 0.0 108.95 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.47 122.57 39.26 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.591 -0.693 . . . . 0.0 109.993 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.76 38.96 24.44 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.868 -1.145 . . . . 0.0 112.778 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 10.97 83.66 Favored Glycine 0 N--CA 1.502 3.092 0 O-C-N 119.859 -1.776 . . . . 0.0 112.552 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.29 54.53 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.82 158.55 33.12 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-O 123.751 1.739 . . . . 0.0 112.399 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.38 31.36 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 112.416 -2.175 . . . . 0.0 108.515 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 135.99 48.79 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.02 -6.78 47.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.78 -1.2 . . . . 0.0 110.717 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.47 13.02 31.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.674 -1.266 . . . . 0.0 109.433 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.5 t -133.13 104.12 6.35 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.096 0.951 . . . . 0.0 110.1 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.454 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.3 tp -57.26 -37.9 73.05 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.941 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -58.83 -51.38 70.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.529 -1.357 . . . . 0.0 113.118 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.44 70.51 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 119.541 -1.975 . . . . 0.0 109.16 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.75 -33.84 75.98 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.927 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.583 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.62 -10.45 52.2 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.64 -0.663 . . . . 0.0 109.937 -177.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.9 p -89.77 -7.65 53.95 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 118.125 -1.43 . . . . 0.0 110.954 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.44 159.3 15.31 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.209 -0.932 . . . . 0.0 110.096 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 106.893 -2.483 . . . . 0.0 106.893 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.5 mt -119.62 47.34 1.73 Allowed 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.7 -1.471 . . . . 0.0 107.413 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.867 HG22 HG21 ' C' ' 56' ' ' THR . 2.7 p -81.4 172.55 13.41 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.222 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.62 140.89 57.24 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.893 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.22 78.82 Favored Glycine 0 N--CA 1.5 2.922 0 C-N-CA 120.033 -1.079 . . . . 0.0 111.313 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.46 135.93 34.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.909 -1.348 . . . . 0.0 110.572 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.52 123.69 48.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.17 160.12 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 117.364 -1.734 . . . . 0.0 110.632 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.5 m -108.88 128.39 54.88 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.48 -1.387 . . . . 0.0 107.556 175.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.89 121.37 60.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.57 147.24 50.7 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -179.561 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.18 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.404 -1.318 . . . . 0.0 109.737 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.13 110.79 6.44 Favored 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 118.608 -1.237 . . . . 0.0 108.045 178.187 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.3 40.14 Favored Glycine 0 C--N 1.295 -1.701 0 C-N-CA 117.994 -2.051 . . . . 0.0 110.331 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.41 -40.67 83.09 Favored 'General case' 0 C--N 1.276 -2.6 0 CA-C-N 114.347 -0.926 . . . . 0.0 112.142 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -113.99 36.86 3.5 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 115.87 -2.332 . . . . 0.0 108.646 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.61 65.9 Favored 'General case' 0 N--CA 1.522 3.132 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.476 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.57 27.47 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 119.619 -1.925 . . . . 0.0 110.972 -176.54 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.785 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.5 -40.78 97.98 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.51 77.59 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 117.506 -1.678 . . . . 0.0 109.996 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.79 -42.24 89.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-O 122.206 1.003 . . . . 0.0 109.274 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.9 -47.98 76.46 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-O 122.075 0.94 . . . . 0.0 108.723 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.785 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.73 -38.4 76.85 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.697 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.54 -28.66 59.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.408 -1.432 . . . . 0.0 110.837 -174.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.49 70.93 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.508 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.2 63.34 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.527 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.27 84.27 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.01 -1.076 . . . . 0.0 110.491 177.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.32 -37.43 85.57 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.901 -1.124 . . . . 0.0 111.487 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.82 -31.83 61.8 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.136 -0.977 . . . . 0.0 110.32 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.35 45.87 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.482 -0.761 . . . . 0.0 111.35 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.719 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.06 125.46 12.22 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 124.394 2.045 . . . . 0.0 112.871 178.686 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.8 mt-10 . . . . . 0 C--N 1.278 -2.536 0 CA-C-N 111.084 -2.78 . . . . 0.0 110.186 -177.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.607 ' O2 ' ' NE2' ' C' ' 78' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -57.86 -36.94 73.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.606 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.3 mt-10 -58.48 -76.31 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.486 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.2 mt -37.45 -39.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.331 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.93 -46.13 82.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.908 0.385 . . . . 1.9399999999999999 110.197 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.9 tt0 -67.37 -36.18 80.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.251 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 58' ' ' LEU . 91.2 t -63.79 -42.59 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.431 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 4' ' ' LEU . 84.6 t -60.44 -44.19 95.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.973 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.501 ' CE ' HD22 ' D' ' 347' ' ' LEU . 89.9 mtp -58.88 -42.39 89.36 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.465 -0.568 . . . . 0.17999999999999999 109.465 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -41.51 98.56 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.407 HD13 ' NE2' ' A' ' 55' ' ' GLN . 83.9 mt -62.89 -43.17 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.226 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.11 -43.98 99.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.022 -0.535 . . . . 0.20000000000000001 109.77 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.552 HD11 ' HB1' ' D' ' 320' ' ' ALA . 92.5 mt -64.02 -44.4 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.01 109.978 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.508 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 48.6 t-20 -61.16 -46.22 91.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.724 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -60.0 -44.11 94.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.929 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.84 -41.81 99.79 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.536 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 92.7 mm-40 -64.48 -42.58 95.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.565 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.59 -49.4 77.6 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.854 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.53 -46.43 90.2 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.3 m -54.76 -43.85 73.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.08 -42.78 99.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.723 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.587 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.57 -50.74 72.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.54 -42.51 92.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.598 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.73 92.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.752 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.34 86.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.663 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.23 -45.27 95.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.434 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.73 -42.11 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.86 -41.87 96.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.795 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.61 92.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.75 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.75 -29.69 69.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.161 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.7 -4.32 55.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.488 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.85 17.16 63.96 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.34 78.85 2.07 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.718 0.294 . . . . 0.0 110.286 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -64.7 -34.36 78.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.34 75.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.132 0.491 . . . . 0.0 110.788 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.83 82.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.302 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.98 -48.47 78.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.46 -43.41 98.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.645 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.34 99.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.814 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.34 -40.35 93.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.492 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.487 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 91.2 mmm -63.93 -40.87 97.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.663 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.25 -44.23 97.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.014 0.435 . . . . 0.0 110.505 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.97 -40.46 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.161 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 t -61.8 -45.75 92.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.509 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 70.5 ttt180 -60.47 -42.56 96.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.345 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.8 ttp -60.57 -44.66 95.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.237 0.542 . . . . 0.0 110.579 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.02 97.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.217 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.565 HD21 ' CB ' ' A' ' 18' ' ' ALA . 96.5 mt -65.29 -40.32 93.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.618 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.38 -42.04 98.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.359 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -65.49 -40.2 92.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.198 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.508 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.13 -45.02 78.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.441 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -61.7 -39.02 89.99 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.019 -0.537 . . . . 0.089999999999999997 110.373 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.0 mt -60.35 -44.07 95.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.91 -42.73 92.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.997 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.549 ' NE2' ' HB1' ' A' ' 77' ' ' ALA . 11.2 tp-100 -60.86 -43.11 98.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.281 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.3 m -56.88 -42.99 80.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.059999999999999998 110.087 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.89 -40.22 92.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.528 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.547 HD22 HD22 ' A' ' 4' ' ' LEU . 96.4 mt -68.69 -39.7 80.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.65 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.58 -40.35 84.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.050000000000000003 110.853 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -81.06 -15.01 57.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.501 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.97 -16.68 43.71 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.484 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 68.1 t0 -96.37 -30.06 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 0.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.17 90.01 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.515 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.53 174.19 33.22 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 65' ' ' GLU . 13.9 pt-20 -62.87 123.52 18.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 110.623 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.2 -0.0 60.29 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -101.65 151.24 22.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.444 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -75.43 141.18 43.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -88.72 -9.79 50.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.876 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 m -101.73 120.43 51.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.773 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.588 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.8 p -129.61 162.05 29.15 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 72' ' ' LEU . 33.5 mt -57.89 -45.63 86.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.573 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 8' ' ' VAL . 78.1 t -64.55 -48.5 84.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.905 0.383 . . . . 0.0 110.588 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.9 -42.06 97.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.184 -0.462 . . . . 0.11 110.895 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 71' ' ' SER . 56.0 t -59.51 -47.31 91.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.749 -0.66 . . . . 0.38 110.227 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.478 ' ND1' HG12 ' C' ' 70' ' ' VAL . 1.3 t60 -59.68 -44.99 93.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.848 0.356 . . . . 0.0 110.347 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HB1' ' NE2' ' A' ' 55' ' ' GLN . . . -64.19 -43.54 94.76 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.427 -0.352 . . . . 0.059999999999999998 110.67 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -62.48 -39.79 94.6 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.195 -0.457 . . . . 1.0900000000000001 110.201 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 83' ' ' THR . 47.5 tp -56.27 -46.46 79.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.392 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.615 ' CE1' ' O3 ' ' D' ' 200' ' ' PO3 . 69.0 m-70 -67.78 -46.01 73.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.668 -0.413 . . . . 0.080000000000000002 110.71 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.08 -46.57 90.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.823 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.1 mmt -61.57 -43.34 99.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.204 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.8 p -63.57 -46.98 83.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.088 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.8 t -62.54 -48.61 78.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.9 tpp -57.47 -48.54 78.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.533 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.06 -44.37 97.49 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.156 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.47 79.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.847 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 70.8 ttt-85 -58.43 -46.23 86.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.146 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.43 -44.08 96.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.064 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.98 -42.07 97.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.094 0.473 . . . . 0.0 109.83 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.587 HD12 ' HB1' ' A' ' 22' ' ' ALA . 73.3 mt -60.68 -42.61 92.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.487 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.4 m -57.22 -45.8 83.54 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.63 -0.428 . . . . 0.0 109.901 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.52 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.6 mt-10 -63.78 -43.06 97.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.485 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.466 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 79.2 mt -59.76 -43.31 94.38 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.93 -42.83 94.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.512 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -62.48 -38.39 89.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 97' ' ' LEU . 37.7 mt -62.7 -42.04 99.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.857 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.6 m80 -60.34 -39.16 86.12 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 102' ' ' LYS . 80.9 tt0 -62.19 -39.1 91.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.179 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.61 -39.61 94.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.148 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.8 mt -64.24 -41.44 96.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.363 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.3 mttt -90.92 140.82 29.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.478 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.58 179.852 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.88 -37.54 74.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.538 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.1 mt-10 -57.87 -76.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.622 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.3 mt -37.46 -38.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.562 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.03 -46.04 82.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 1.9399999999999999 110.379 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' GLU . 83.8 tt0 -67.21 -36.14 81.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.232 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.498 HG11 HD11 ' B' ' 58' ' ' LEU . 92.5 t -63.83 -42.35 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.622 HG23 ' O ' ' B' ' 4' ' ' LEU . 83.6 t -60.89 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.878 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mtp -59.01 -42.06 89.24 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.575 -0.528 . . . . 0.17999999999999999 109.575 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.42 98.12 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.91 -43.05 99.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 110.398 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.2 -43.96 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.958 -0.565 . . . . 0.28999999999999998 109.695 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.15 -44.45 97.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.918 -0.583 . . . . 0.02 109.902 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 48.3 t-20 -61.06 -46.04 92.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.809 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.6 t -60.2 -44.1 95.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.124 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -41.64 99.83 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.33 -43.02 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.546 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.32 -49.2 78.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.922 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.79 -45.89 92.62 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.9 m -55.27 -43.6 74.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.26 -43.01 99.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.677 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.589 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.37 -50.98 71.89 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.37 -42.44 91.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.691 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.18 93.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.737 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.33 85.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.621 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.24 -45.55 94.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.301 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.51 -42.2 74.15 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.72 -41.75 95.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.866 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.68 93.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.685 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.71 -29.75 69.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.059 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.78 -4.04 55.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.42 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.59 17.12 64.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.28 78.77 2.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.815 0.341 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.58 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -49.15 76.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.064 0.459 . . . . 0.0 110.814 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.66 81.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.72 77.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.628 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.1 -43.67 98.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.6 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.41 99.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.21 -40.57 94.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.476 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 91.3 mmm -63.71 -40.84 97.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.587 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.31 -44.49 96.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.477 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.47 -40.41 96.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.29 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 43.8 t -61.96 -45.87 91.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.405 ' HB2' ' NH2' ' B' ' 88' ' ' ARG . 70.2 ttt180 -60.48 -42.52 96.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.251 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 55.2 ttp -60.48 -44.8 95.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.285 0.564 . . . . 0.0 110.653 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.97 97.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.148 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.546 HD21 ' CB ' ' B' ' 18' ' ' ALA . 96.4 mt -65.51 -40.35 92.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.69 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.43 -41.39 97.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.394 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.95 -40.35 91.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.154 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.496 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.06 -45.27 77.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.433 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -61.38 -39.1 89.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.089999999999999997 110.254 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.7 mt -60.49 -44.06 96.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.412 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.62 -43.45 93.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 110.074 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.581 ' NE2' ' HB1' ' B' ' 77' ' ' ALA . 11.3 tp-100 -60.04 -43.75 95.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.3 m -56.37 -43.15 78.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.059999999999999998 109.955 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.14 -39.81 91.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.918 0.389 . . . . 0.0 110.529 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.526 HD22 HD22 ' B' ' 4' ' ' LEU . 97.9 mt -68.91 -39.5 79.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.75 -40.36 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.038 -0.528 . . . . 0.040000000000000001 110.798 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -81.3 -14.11 57.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.617 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.52 -16.92 40.98 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.48 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 67.9 t0 -96.54 -30.04 13.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.576 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.18 90.22 4.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.393 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.85 174.63 33.16 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -63.29 123.51 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.8 -0.56 61.35 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -101.51 151.36 22.05 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.674 0.273 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mtm -75.63 141.89 42.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.607 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -89.25 -9.03 52.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 m -103.09 120.17 52.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.756 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.629 ' O ' HG23 ' B' ' 75' ' ' VAL . 99.0 p -129.08 163.9 24.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.527 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 72' ' ' LEU . 36.9 mt -60.27 -45.4 93.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.545 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.561 HG13 HG21 ' B' ' 8' ' ' VAL . 73.9 t -63.6 -47.98 88.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.764 0.316 . . . . 0.0 110.573 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.24 -41.89 96.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.136 0.493 . . . . 0.11 110.984 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 71' ' ' SER . 56.1 t -59.41 -47.16 91.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.343 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.635 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.5 t-80 -59.47 -45.91 90.27 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.854 -0.338 . . . . 1.1100000000000001 110.317 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.581 ' HB1' ' NE2' ' B' ' 55' ' ' GLN . . . -63.38 -43.68 96.91 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.864 0.364 . . . . 0.059999999999999998 110.409 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.49 -39.98 95.24 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.124 -0.489 . . . . 1.0900000000000001 110.216 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 83' ' ' THR . 46.5 tp -56.2 -46.6 79.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.363 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.635 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 69.5 m-70 -67.62 -45.89 74.07 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.681 -0.408 . . . . 0.080000000000000002 110.796 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.35 -46.34 90.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 19.4 mmt -61.81 -43.52 98.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.236 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.1 p -63.17 -47.02 84.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.133 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -62.36 -48.95 77.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.673 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.6 tpp -57.05 -48.92 77.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.412 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.83 -44.46 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.118 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.33 80.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.942 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' B' ' 45' ' ' ARG . 71.4 ttt-85 -58.87 -45.76 89.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.275 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.67 -43.99 97.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.219 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.95 -42.16 97.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.029 0.442 . . . . 0.0 109.984 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.589 HD12 ' HB1' ' B' ' 22' ' ' ALA . 73.4 mt -60.67 -42.57 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.195 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.476 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 16.2 m -57.11 -46.12 82.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.061 0.458 . . . . 0.0 109.919 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.4 mt-10 -63.63 -42.45 98.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.49 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.52 HD13 ' OE1' ' A' ' 93' ' ' GLU . 78.5 mt -60.43 -43.2 97.04 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.09 -42.84 94.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.554 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -62.17 -38.97 91.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.1 mt -62.31 -42.12 99.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.834 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.3 m80 -60.24 -39.31 86.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.723 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' B' ' 102' ' ' LYS . 81.6 tt0 -62.16 -39.03 91.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.056 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.7 -39.49 94.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.115 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.3 mt -64.31 -41.59 96.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.383 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.3 mttt -90.85 140.91 29.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.584 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.596 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.88 -37.28 73.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.3 mt-10 -58.17 -76.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.639 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.5 mt -37.46 -38.96 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.431 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.03 -45.95 83.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 1.9399999999999999 110.424 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' C' ' 3' ' ' GLU . 83.9 tt0 -67.43 -35.86 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.489 HG11 HD11 ' C' ' 58' ' ' LEU . 91.8 t -63.95 -42.62 96.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.372 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.639 HG23 ' O ' ' C' ' 4' ' ' LEU . 84.7 t -60.71 -43.92 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.029 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.1 -42.07 89.63 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.539 -0.541 . . . . 0.17999999999999999 109.539 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.16 -41.59 98.33 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.409 HD13 ' NE2' ' C' ' 55' ' ' GLN . 84.8 mt -62.72 -42.96 99.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.969 0.414 . . . . 0.0 110.388 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.3 -44.1 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.556 . . . . 0.29999999999999999 109.707 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.99 -44.26 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.02 110.053 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.488 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 48.9 t-20 -61.38 -46.24 91.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.719 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -59.79 -44.29 94.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.1 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.83 99.78 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.2 -42.9 96.44 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.546 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.28 -49.56 76.69 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.56 -46.16 91.24 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 64.6 m -54.93 -43.89 73.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.97 -42.71 99.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.778 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.581 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.81 -50.57 73.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.62 -42.74 93.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.549 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.94 92.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.732 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.35 86.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.615 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.25 -45.32 95.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.374 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.67 -42.18 74.76 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.74 -41.82 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.966 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.26 92.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.776 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.06 -29.56 69.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.123 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -81.84 -4.29 56.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.469 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 17.3 63.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -100.34 78.65 2.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.782 0.325 . . . . 0.0 110.308 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -64.64 -34.57 78.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -48.76 78.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 0.0 110.646 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.65 81.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.16 79.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.522 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.5 -43.67 98.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.572 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.53 99.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 87.9 mmm -65.28 -40.49 93.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.487 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 91.3 mmm -63.72 -41.05 98.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.33 -44.2 97.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.408 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.71 -40.22 96.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.294 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -62.25 -45.89 91.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.449 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.409 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 70.0 ttt180 -60.37 -42.43 95.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.35 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 56.9 ttp -60.61 -44.95 95.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.316 0.579 . . . . 0.0 110.518 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.64 98.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.546 HD21 ' CB ' ' C' ' 18' ' ' ALA . 95.1 mt -64.83 -40.8 95.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.718 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.1 -41.79 97.33 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.367 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.65 -40.22 92.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.078 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.488 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.16 -45.5 76.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.397 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.563 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.4 t60 -61.21 -38.84 88.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.089999999999999997 110.282 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.82 -43.89 97.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.352 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.6 -43.46 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.031 0.443 . . . . 0.0 109.967 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.579 ' NE2' ' HB1' ' C' ' 77' ' ' ALA . 11.3 tp-100 -60.11 -43.75 95.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.273 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.811 HG21 HG22 ' D' ' 356' ' ' THR . 16.0 m -56.3 -43.15 78.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.059999999999999998 110.197 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.13 -39.76 91.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.504 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.531 HD22 HD22 ' C' ' 4' ' ' LEU . 96.6 mt -68.88 -39.46 79.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.822 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.73 -40.2 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.059999999999999998 110.836 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.593 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 79.2 mm-40 -81.54 -14.21 57.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.461 -179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.68 -16.09 43.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.497 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 68.0 t0 -97.24 -30.01 13.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.908 0.385 . . . . 0.0 110.498 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.31 90.18 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.77 174.41 33.08 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' C' ' 65' ' ' GLU . 14.5 pt-20 -62.88 123.35 18.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 0.0 110.578 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.69 -0.54 61.0 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -101.27 151.29 22.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.668 0.27 . . . . 0.0 110.491 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mtm -75.78 141.88 42.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.577 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.404 ' NZ ' HG22 ' D' ' 316' ' ' THR . 64.8 pttt -89.21 -8.83 52.78 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.478 HG12 ' ND1' ' A' ' 76' ' ' HIS . 3.6 m -102.98 119.93 52.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.756 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.649 ' O ' HG23 ' C' ' 75' ' ' VAL . 98.3 p -128.04 166.27 18.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.475 -178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.99 -44.43 96.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.726 -177.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.581 HG13 HG21 ' C' ' 8' ' ' VAL . 69.5 t -65.07 -48.48 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 130.053 3.341 . . . . 0.0 110.645 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.93 -41.72 90.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.072 0.463 . . . . 0.11 111.043 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.649 HG23 ' O ' ' C' ' 71' ' ' SER . 55.6 t -59.94 -47.42 91.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.749 -0.66 . . . . 0.40000000000000002 110.297 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.623 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.5 t-80 -59.73 -45.77 91.17 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.914 -0.314 . . . . 1.02 110.242 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.579 ' HB1' ' NE2' ' C' ' 55' ' ' GLN . . . -63.64 -43.43 96.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.896 0.379 . . . . 0.059999999999999998 110.41 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.79 -39.72 95.13 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.251 -0.432 . . . . 1.0900000000000001 110.311 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.504 ' O ' HG23 ' C' ' 83' ' ' THR . 46.3 tp -56.28 -46.51 79.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.499 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.623 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 69.7 m-70 -67.68 -46.06 73.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.399 . . . . 0.080000000000000002 110.76 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.11 -46.68 89.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.792 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 19.6 mmt -61.47 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.358 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.504 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.6 p -63.82 -46.61 84.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.152 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.81 -48.79 77.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.6 tpp -56.98 -48.72 77.73 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.694 0.283 . . . . 0.0 110.505 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.11 -44.37 97.44 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.115 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.09 -48.05 81.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.969 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.409 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 70.7 ttt-85 -59.01 -45.77 89.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.23 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.48 -44.25 96.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.168 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.92 -42.13 97.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.189 0.519 . . . . 0.0 110.008 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.581 HD12 ' HB1' ' C' ' 22' ' ' ALA . 73.4 mt -60.65 -42.5 92.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.406 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.487 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 16.8 m -57.08 -46.14 82.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.47 . . . . 0.0 110.011 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.62 -42.73 98.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.509 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' B' ' 93' ' ' GLU . 79.1 mt -60.07 -43.27 95.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.89 -42.95 94.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.597 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -62.04 -39.14 91.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.135 0.493 . . . . 0.0 109.763 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.7 mt -62.11 -42.02 98.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.912 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.5 m80 -60.56 -39.0 86.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.705 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.2 tt0 -62.07 -39.38 92.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.117 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.33 -39.33 94.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.256 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.63 -41.59 96.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.386 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.3 mttt -90.64 140.99 29.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.489 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.502 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.53 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.217 -0.656 0 CA-C-O 121.866 0.841 . . . . 0.0 108.929 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.04 36.63 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.25 38.42 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.104 -0.998 . . . . 0.0 109.498 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.12 28.44 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.29 18.95 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.101 -0.999 . . . . 0.0 108.416 178.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.75 136.65 37.0 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.189 0.995 . . . . 0.0 110.076 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.97 114.33 24.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.89 -4.36 19.26 Favored 'General case' 0 C--N 1.264 -3.128 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.819 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.46 141.8 85.91 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 119.691 -1.881 . . . . 0.0 110.632 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.53 -47.65 12.98 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 124.717 3.612 . . . . 0.0 114.159 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.563 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 97.8 m-20 -102.11 27.46 6.62 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 116.076 -2.25 . . . . 0.0 108.803 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 64.95 -132.28 36.81 Favored Glycine 0 N--CA 1.496 2.683 0 C-N-CA 117.675 -2.202 . . . . 0.0 109.559 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 9.4 tp -119.25 80.77 1.61 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.927 -1.337 . . . . 0.0 109.469 -176.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -86.72 175.41 8.27 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 117.804 -1.559 . . . . 0.0 112.231 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.546 ' OG1' ' O3 ' ' D' ' 200' ' ' PO3 . 81.4 p -25.08 -68.49 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.536 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 9.4 ttt-85 -47.34 -64.51 1.0 Allowed Pre-proline 0 N--CA 1.494 1.745 0 C-N-CA 120.124 -0.63 . . . . 0.0 112.477 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.39 -32.29 60.82 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 C-N-CA 121.884 1.723 . . . . 0.0 111.519 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.437 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.9 -38.81 86.95 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.275 -0.891 . . . . 0.0 109.527 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.98 -39.7 72.35 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.99 -39.41 94.05 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.019 -1.473 . . . . 0.0 109.443 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.29 93.44 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.596 1.188 . . . . 0.0 108.684 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.437 HG23 ' O ' ' D' ' 319' ' ' ALA . 54.9 t -62.62 -42.36 95.69 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.289 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.642 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.438 ' HZ1' HD12 ' A' ' 13' ' ' ILE . 91.7 mttt -63.86 -40.2 96.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.236 -0.915 . . . . 0.0 109.84 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.527 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.7 80.13 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.46 -0.775 . . . . 0.0 109.595 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.91 92.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.593 -1.317 . . . . 0.0 109.42 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.29 -16.26 43.8 Favored 'General case' 0 N--CA 1.511 2.579 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.61 86.03 Favored Glycine 0 N--CA 1.478 1.445 0 O-C-N 119.909 -1.744 . . . . 0.0 109.355 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.422 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.41 143.29 32.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.3 -1.706 . . . . 0.0 110.037 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.5 p -75.58 -30.08 59.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.272 -0.892 . . . . 0.0 112.348 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.72 158.57 10.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 119.885 -1.759 . . . . 0.0 112.831 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.2 35.31 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 102.805 -3.035 . . . . 0.0 102.805 171.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.59 60.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.386 0 CA-C-O 122.207 1.004 . . . . 0.0 109.28 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.92 143.24 50.97 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-O 123.085 1.422 . . . . 0.0 109.948 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.0 t -108.12 129.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.771 0 N-CA-C 105.534 -2.025 . . . . 0.0 105.534 173.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.46 119.59 26.44 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.891 -1.131 . . . . 0.0 108.989 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.52 122.59 39.28 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.56 -0.713 . . . . 0.0 109.914 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.76 38.91 24.3 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.965 -1.085 . . . . 0.0 112.757 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.99 83.54 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 119.959 -1.713 . . . . 0.0 112.516 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.81 136.28 54.53 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.77 158.55 33.03 Favored 'General case' 0 C--N 1.276 -2.63 0 CA-C-O 123.775 1.75 . . . . 0.0 112.468 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.41 31.46 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 112.493 -2.139 . . . . 0.0 108.582 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.63 135.99 48.81 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.05 -6.76 47.72 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.608 -1.307 . . . . 0.0 110.657 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.46 12.92 31.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.648 -1.282 . . . . 0.0 109.382 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.8 t -133.07 104.19 6.4 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 122.14 0.971 . . . . 0.0 110.154 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.501 HD22 ' CE ' ' A' ' 9' ' ' MET . 53.9 tp -57.3 -37.85 73.08 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.969 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -58.88 -51.33 70.47 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.61 -1.306 . . . . 0.0 113.081 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.41 70.46 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 119.594 -1.942 . . . . 0.0 109.234 -178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.77 -33.74 75.8 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.95 -1.1 . . . . 0.0 109.982 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.593 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.66 -10.47 52.56 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.675 -0.641 . . . . 0.0 109.895 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.9 p -89.81 -7.73 53.69 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 118.077 -1.449 . . . . 0.0 110.919 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.32 159.35 15.3 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.197 -0.939 . . . . 0.0 110.208 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.75 2.96 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.54 47.39 1.72 Allowed 'General case' 0 C--N 1.308 -1.224 0 O-C-N 120.798 -1.413 . . . . 0.0 107.439 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.811 HG22 HG21 ' C' ' 56' ' ' THR . 3.4 p -81.44 172.56 13.38 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.781 -1.168 . . . . 0.0 109.254 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.7 140.92 57.34 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.289 -0.965 . . . . 0.0 109.904 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.25 78.91 Favored Glycine 0 N--CA 1.501 2.98 0 C-N-CA 120.03 -1.081 . . . . 0.0 111.408 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.44 135.86 34.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.93 -1.335 . . . . 0.0 110.634 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.48 123.7 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.17 160.07 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 C-N-CA 117.418 -1.713 . . . . 0.0 110.635 178.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.429 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.87 128.44 54.91 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 120.604 -1.31 . . . . 0.0 107.542 175.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.91 121.38 60.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.18 50.7 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -179.521 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.71 153.47 47.24 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.697 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.53 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.8 6.42 Favored 'General case' 0 C--N 1.288 -2.07 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.04 178.163 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.34 40.16 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 118.001 -2.047 . . . . 0.0 110.392 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.43 -40.57 82.91 Favored 'General case' 0 C--N 1.275 -2.661 0 CA-C-N 114.349 -0.926 . . . . 0.0 112.169 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.05 36.79 3.55 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 118.94 -2.35 . . . . 0.0 108.594 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.4 -33.47 65.81 Favored 'General case' 0 N--CA 1.522 3.138 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -174.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.464 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.96 -45.57 27.15 Favored 'General case' 0 N--CA 1.509 2.505 0 O-C-N 119.657 -1.902 . . . . 0.0 110.987 -176.569 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.834 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.84 98.17 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.45 77.82 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 117.435 -1.706 . . . . 0.0 110.061 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.2 t -66.8 -42.2 88.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-O 122.278 1.037 . . . . 0.0 109.347 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.85 -47.96 76.34 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.105 0.955 . . . . 0.0 108.765 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.834 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.8 m-70 -69.75 -38.33 76.76 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.72 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.61 -28.66 58.95 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.457 -1.402 . . . . 0.0 110.899 -174.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.37 -39.51 71.95 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.446 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.26 62.88 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.527 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.24 -45.25 84.12 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.532 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.35 -37.34 85.29 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.884 -1.135 . . . . 0.0 111.532 -177.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -75.0 -31.72 61.47 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.203 -0.936 . . . . 0.0 110.313 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.94 -32.17 45.42 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.529 -0.732 . . . . 0.0 111.39 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.11 125.47 12.31 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 124.305 2.003 . . . . 0.0 112.87 178.632 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.819 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.1 mm-40 . . . . . 0 C--N 1.276 -2.592 0 CA-C-N 111.214 -2.721 . . . . 0.0 110.136 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.615 ' O3 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.72 138.12 58.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.4 mt-10 -62.41 137.56 58.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.689 ' O ' HG23 ' A' ' 8' ' ' VAL . 94.5 mt -37.43 -36.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.481 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.09 -46.72 79.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.894 0.378 . . . . 1.9399999999999999 110.292 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' GLU . 98.2 mt-10 -68.51 -35.66 77.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.311 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.48 HG11 HD11 ' A' ' 58' ' ' LEU . 90.9 t -64.36 -41.61 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.413 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 4' ' ' LEU . 78.7 t -61.18 -44.04 97.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.876 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 86.4 mtp -58.7 -42.35 88.4 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.484 -0.562 . . . . 0.17999999999999999 109.484 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.04 97.82 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.31 -43.36 98.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.221 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.0 -44.64 99.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.20000000000000001 109.747 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.1 -44.27 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.529 . . . . 0.01 109.979 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.2 t-20 -61.1 -46.79 89.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.766 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -59.92 -43.39 94.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.018 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.563 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.14 -42.22 99.52 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -64.32 -43.05 95.88 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.05 75.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.822 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -60.07 -46.74 88.57 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -54.36 -43.96 71.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.52 -42.11 98.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.757 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.08 -50.47 73.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -59.73 -41.56 91.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.651 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.3 92.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.73 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.32 85.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.652 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.8 -45.03 96.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.402 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.48 -42.08 77.68 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -61.62 -44.21 97.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.817 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.02 95.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.765 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.7 -31.36 70.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.145 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -82.19 -3.49 55.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.373 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.25 16.88 68.12 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -99.37 79.26 2.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.748 0.309 . . . . 0.0 110.195 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.63 -33.61 76.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.656 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.59 74.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.003 0.43 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.13 80.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.1 81.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.54 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.84 -42.02 98.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.627 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -44.0 97.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.55 -39.92 92.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.535 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.533 ' HE1' HG23 ' A' ' 92' ' ' THR . 90.1 mtp -62.1 -42.78 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.606 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.35 -43.98 97.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.438 . . . . 0.0 110.575 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.44 -41.15 98.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.215 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.4 t -61.75 -47.07 86.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.526 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -60.23 -43.31 96.14 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.35 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.21 -43.66 95.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.18 0.514 . . . . 0.0 110.556 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.76 -43.92 94.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.223 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.84 -40.68 95.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.86 -42.94 98.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.284 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.03 -39.77 93.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.164 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.32 -46.12 74.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.476 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -60.87 -39.35 88.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.089999999999999997 110.36 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.5 mt -60.97 -44.08 97.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.357 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.65 -43.12 90.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.962 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.41 HE22 HD23 ' A' ' 74' ' ' LEU . 67.4 tp60 -60.25 -44.35 95.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.237 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.1 m -56.8 -42.84 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.059999999999999998 110.018 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.69 -39.94 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.515 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 4' ' ' LEU . 97.8 mt -63.63 -30.57 71.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.666 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.4 mt -83.72 -31.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.050000000000000003 110.886 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.41 -9.65 59.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.44 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.18 177.41 4.31 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 55.6 p-10 -64.38 145.29 56.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 110.663 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.38 145.32 52.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.03 164.33 54.33 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -59.16 102.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.688 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.39 0.82 84.86 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 68' ' ' MET . 54.9 mtpt -119.89 133.84 55.44 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.677 0.275 . . . . 0.0 110.437 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.411 ' O ' ' O ' ' A' ' 67' ' ' LYS . 98.5 mmm -61.33 -132.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.643 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -96.72 -7.2 34.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.0 t -105.55 127.41 60.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.712 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 75' ' ' VAL . 66.6 p -136.41 171.0 15.13 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.31 -41.4 84.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.563 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' A' ' 8' ' ' VAL . 65.0 t -64.72 -45.55 94.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.86 0.362 . . . . 0.0 110.559 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 HE22 ' A' ' 55' ' ' GLN . 82.4 mt -63.53 -41.98 98.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.213 -0.448 . . . . 0.11 110.956 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 71' ' ' SER . 53.6 t -59.86 -47.29 92.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.795 -0.639 . . . . 0.38 110.153 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -58.34 -46.28 86.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.837 0.351 . . . . 0.0 110.344 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.73 -43.04 94.67 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.415 -0.357 . . . . 0.059999999999999998 110.62 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.93 -41.13 97.6 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0900000000000001 110.181 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 83' ' ' THR . 44.1 tp -56.6 -45.57 81.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.368 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.593 ' NE2' ' O2 ' ' D' ' 200' ' ' PO3 . 72.1 m-70 -66.87 -46.26 75.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.303 -0.408 . . . . 0.080000000000000002 110.747 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.36 -45.85 92.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.847 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.65 -43.43 98.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.189 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.8 p -63.59 -45.48 90.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.095 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.85 -49.92 72.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.386 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.14 -48.23 79.21 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.555 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.97 -44.0 97.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.94 0.4 . . . . 0.0 110.089 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.91 -48.78 78.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.797 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -59.06 -45.3 91.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.117 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.597 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 96.2 mt-10 -60.35 -44.72 95.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.076 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.67 -43.1 94.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.163 0.506 . . . . 0.0 109.878 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.543 HD12 ' HB1' ' A' ' 22' ' ' ALA . 78.4 mt -60.33 -42.26 90.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.533 HG23 ' HE1' ' A' ' 41' ' ' MET . 6.3 m -57.62 -46.35 84.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.01 0.433 . . . . 0.0 109.841 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.59 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.2 mt-10 -64.1 -42.78 96.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.574 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.406 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 69.8 mt -59.27 -43.87 92.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.95 -42.51 93.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.554 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -61.78 -38.78 89.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.786 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 97' ' ' LEU . 82.5 mt -62.58 -41.88 99.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.907 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 66.7 m80 -61.06 -38.32 85.77 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 102' ' ' LYS . 10.3 tm-20 -63.32 -39.1 93.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.242 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.54 -40.59 97.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.227 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.82 -42.24 95.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.355 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.462 ' O ' ' OXT' ' A' ' 103' ' ' ALA . 55.0 mtpt -88.64 141.26 28.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.484 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.462 ' OXT' ' O ' ' A' ' 102' ' ' LYS . . . . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.59 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.1 138.0 58.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.3 mt-10 -62.2 137.81 58.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.425 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.694 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.6 mt -37.63 -36.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.503 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.23 -46.62 79.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 1.9399999999999999 110.349 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.6 mt-10 -68.42 -35.88 78.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.19 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.49 HG11 HD11 ' B' ' 58' ' ' LEU . 90.1 t -64.15 -41.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.305 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 4' ' ' LEU . 81.6 t -61.07 -43.85 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.854 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 86.2 mtp -58.91 -41.81 88.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.58 -0.526 . . . . 0.17999999999999999 109.58 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.8 -42.41 97.08 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.01 -43.19 99.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.342 . . . . 0.0 110.342 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.35 -44.58 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.28999999999999998 109.677 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.12 -44.27 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.954 -0.566 . . . . 0.02 109.934 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.4 t-20 -61.11 -46.79 89.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.767 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.8 p -59.8 -43.58 94.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.089 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -41.81 99.33 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -64.22 -43.56 94.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.93 75.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.948 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.597 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 76.4 ttt180 -59.95 -46.81 88.2 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -54.34 -43.76 71.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.66 -42.36 98.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.733 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.551 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -58.95 -50.37 74.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.49 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.5 m-85 -59.84 -41.32 91.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.716 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.2 93.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.725 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.2 86.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.705 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.97 -45.38 94.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.277 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.06 -42.24 76.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.46 -44.03 97.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.879 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.08 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.69 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.67 -31.52 70.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.023 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.95 -3.79 55.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.4 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.28 16.69 68.53 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.01 79.39 2.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.757 0.313 . . . . 0.0 110.331 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.79 -33.6 76.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.644 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.8 74.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.18 -35.09 79.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.49 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.18 81.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.81 -42.29 98.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.529 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.32 97.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.682 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.7 mtt -65.16 -40.45 94.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.545 ' HE1' HG23 ' B' ' 92' ' ' THR . 90.5 mtp -61.48 -42.94 99.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.635 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.18 -44.0 98.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.48 -41.34 98.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -61.54 -47.31 86.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.455 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.18 -43.27 95.98 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.23 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.15 -43.61 95.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.335 0.588 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.58 95.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.146 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' B' ' 48' ' ' LEU . 90.2 mt -65.1 -40.61 94.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.693 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.95 -42.75 98.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.286 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.35 -39.8 92.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.104 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.461 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.11 -46.37 74.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.467 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.63 -39.68 89.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.089999999999999997 110.25 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.6 mt -60.77 -44.33 96.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.318 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.46 -43.34 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.019 0.438 . . . . 0.0 109.949 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -59.81 -44.66 93.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.245 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.7 m -56.73 -43.04 80.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.059999999999999998 109.988 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.61 -39.87 95.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.86 0.362 . . . . 0.0 110.518 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' B' ' 4' ' ' LEU . 97.3 mt -63.46 -30.6 71.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.677 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.77 -31.69 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.028 -0.533 . . . . 0.040000000000000001 110.813 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -81.42 -9.84 59.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.533 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.73 176.65 4.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 55.2 p-10 -64.07 145.29 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.518 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.38 145.4 51.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.19 164.76 54.37 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.23 102.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.64 0.79 85.48 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' B' ' 68' ' ' MET . 55.5 mtpt -120.13 134.22 55.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.635 0.255 . . . . 0.0 110.475 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . 0.401 ' O ' ' O ' ' B' ' 67' ' ' LYS . 98.5 mmm -61.48 -132.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.627 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -97.19 -6.51 34.57 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.1 t -106.72 127.32 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.864 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.413 ' O ' HG23 ' B' ' 75' ' ' VAL . 36.5 p -136.18 171.99 13.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.505 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.04 -41.73 92.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.587 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.565 HG13 HG21 ' B' ' 8' ' ' VAL . 64.6 t -63.08 -45.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.607 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.68 -41.28 98.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.145 0.498 . . . . 0.11 110.981 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 71' ' ' SER . 54.8 t -60.36 -47.09 93.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.284 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.46 ' CE1' ' CD2' ' B' ' 80' ' ' HIS . 58.9 t-80 -58.94 -45.98 89.12 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.819 -0.352 . . . . 1.1100000000000001 110.293 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.38 95.12 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.937 0.398 . . . . 0.059999999999999998 110.434 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -62.84 -40.68 98.18 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.09 -0.505 . . . . 1.0900000000000001 110.228 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 83' ' ' THR . 47.0 tp -56.95 -45.28 82.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.407 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.46 ' CD2' ' CE1' ' B' ' 76' ' ' HIS . 71.9 m-70 -67.34 -45.97 74.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.39 -0.368 . . . . 0.080000000000000002 110.671 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.9 mt -61.59 -46.12 91.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.829 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.28 -43.39 98.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.243 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.459 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.1 p -63.62 -45.66 89.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.159 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -62.54 -49.92 73.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -57.08 -48.61 78.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.473 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.42 -44.27 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.161 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.77 -48.6 79.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.885 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -59.04 -45.34 90.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.23 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.594 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.7 mt-10 -60.59 -44.65 96.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.127 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.56 -42.97 95.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.498 . . . . 0.0 110.042 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.551 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.1 mt -60.55 -42.56 91.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.187 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.545 HG23 ' HE1' ' B' ' 41' ' ' MET . 5.8 m -57.4 -45.89 84.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.016 0.436 . . . . 0.0 109.845 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.568 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.5 mt-10 -64.27 -42.99 96.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.526 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.59 HD13 ' OE1' ' A' ' 93' ' ' GLU . 68.8 mt -59.36 -43.64 92.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.2 mt -61.14 -42.1 91.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.542 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.99 -39.2 91.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.47 -41.51 98.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.884 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -61.38 -38.45 87.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.79 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' B' ' 102' ' ' LYS . 10.4 tm-20 -63.18 -39.34 94.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.032 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.44 -40.62 97.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.76 -41.87 95.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 99' ' ' GLU . 54.6 mtpt -89.12 141.8 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.441 ' OXT' ' O ' ' B' ' 102' ' ' LYS . . . . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.513 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.58 138.23 58.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.628 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.3 mt-10 -62.22 137.6 58.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.342 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.704 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.5 mt -37.66 -36.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.455 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.33 -46.59 79.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 1.9399999999999999 110.349 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.7 mt-10 -68.39 -36.03 78.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.344 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.491 HG11 HD11 ' C' ' 58' ' ' LEU . 89.8 t -63.75 -42.03 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.704 HG23 ' O ' ' C' ' 4' ' ' LEU . 81.9 t -61.07 -43.66 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.971 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 86.8 mtp -59.34 -41.76 89.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.567 -0.531 . . . . 0.17999999999999999 109.567 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.77 -42.16 97.26 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.1 -43.29 98.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.318 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.27 -44.58 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.29999999999999999 109.706 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.9 -44.47 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.006 -0.543 . . . . 0.02 110.081 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.462 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 52.1 t-20 -60.88 -47.48 86.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.778 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.3 p -59.0 -43.88 91.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.169 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.0 -42.3 99.7 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.86 -43.63 95.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.37 -50.17 74.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.732 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.594 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 76.6 ttt180 -60.19 -46.42 89.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.7 m -54.74 -43.66 72.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.51 -42.56 98.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.721 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.555 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.77 -50.28 74.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.482 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.4 m-85 -60.09 -41.34 92.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.513 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.11 93.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.697 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.73 86.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.595 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.42 -44.97 96.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.67 -41.96 78.19 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.63 -43.93 97.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.157 0.504 . . . . 0.0 109.931 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.06 95.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.806 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.92 -31.41 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.108 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.79 -3.73 54.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.436 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.16 17.21 67.54 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.83 79.11 2.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.774 0.321 . . . . 0.0 110.258 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.49 -33.93 77.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.486 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.81 74.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.617 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.29 80.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.23 81.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.473 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.65 -42.55 99.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.641 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.9 98.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.58 -40.25 92.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.614 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.54 ' HE1' HG23 ' C' ' 92' ' ' THR . 90.3 mtp -61.78 -42.71 99.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.703 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.54 -43.63 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.453 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.79 -41.11 97.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.328 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -61.87 -47.1 86.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.455 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.32 -42.98 96.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.332 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 66.0 ttp -60.5 -43.67 96.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.301 0.572 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.6 96.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.392 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.22 -40.62 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.11 -42.32 98.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.306 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.27 -40.24 93.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.982 0.42 . . . . 0.0 110.031 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.462 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.08 -46.41 74.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.438 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.43 -39.67 88.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.089999999999999997 110.325 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.98 -44.28 97.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.26 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.13 -43.36 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.025 0.441 . . . . 0.0 109.951 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.409 HE22 HD23 ' C' ' 74' ' ' LEU . 67.2 tp60 -59.98 -44.77 94.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.276 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.899 HG21 HG22 ' D' ' 356' ' ' THR . 17.5 m -56.49 -42.94 79.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.059999999999999998 110.141 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.85 -39.75 95.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.509 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.491 HD11 HG11 ' C' ' 7' ' ' VAL . 97.3 mt -63.45 -30.71 71.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.71 -31.65 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.059999999999999998 110.76 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.541 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 -81.44 -9.6 59.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.418 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.79 177.53 3.82 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 54.7 p-10 -64.89 145.57 56.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.346 . . . . 0.0 110.455 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.56 145.28 52.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.16 164.4 54.4 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.12 102.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 0.0 110.613 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.47 1.02 85.72 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' C' ' 68' ' ' MET . 55.4 mtpt -120.08 134.17 55.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 110.589 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . 0.403 ' O ' ' O ' ' C' ' 67' ' ' LYS . 98.4 mmm -61.57 -132.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.549 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -97.04 -6.72 34.6 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.802 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 54.1 t -106.48 126.92 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.772 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.419 ' O ' HG23 ' C' ' 75' ' ' VAL . 36.9 p -135.2 174.15 10.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.479 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.86 -41.01 97.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.726 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.562 HG13 HG21 ' C' ' 8' ' ' VAL . 57.0 t -64.19 -45.6 95.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 130.115 3.366 . . . . 0.0 110.608 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.409 HD23 HE22 ' C' ' 55' ' ' GLN . 83.6 mt -65.8 -41.1 92.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.11 110.966 177.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 71' ' ' SER . 55.8 t -60.47 -47.71 91.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.803 -0.635 . . . . 0.40000000000000002 110.235 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.466 ' CE1' ' CD2' ' C' ' 80' ' ' HIS . 58.9 t-80 -58.78 -46.02 88.49 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.901 -0.32 . . . . 1.02 110.34 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.49 94.89 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.843 0.354 . . . . 0.059999999999999998 110.377 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.537 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 59.1 tt0 -62.77 -40.51 97.5 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.211 -0.45 . . . . 1.0900000000000001 110.241 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.453 ' O ' HG23 ' C' ' 83' ' ' THR . 45.1 tp -57.04 -45.5 83.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.481 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.466 ' CD2' ' CE1' ' C' ' 76' ' ' HIS . 72.1 m-70 -67.37 -45.7 75.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.334 -0.394 . . . . 0.080000000000000002 110.732 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.8 -46.01 91.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.844 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.34 -43.18 99.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.383 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.453 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -63.9 -45.61 88.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.143 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 77.3 p -62.68 -49.73 73.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.618 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.04 -48.58 78.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.521 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.2 tp -61.68 -44.06 97.66 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.132 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.6 79.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -58.95 -45.52 90.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.2 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.29 -44.8 95.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.104 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.65 -42.86 95.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.191 0.52 . . . . 0.0 110.02 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.555 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.3 mt -60.69 -42.51 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.365 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.54 HG23 ' HE1' ' C' ' 41' ' ' MET . 5.9 m -57.32 -45.81 83.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.041 0.448 . . . . 0.0 109.976 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.44 -42.88 95.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.488 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.568 HD13 ' OE1' ' B' ' 93' ' ' GLU . 70.0 mt -59.26 -43.91 92.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.79 -42.36 92.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.638 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -61.64 -39.39 91.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.737 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.24 -41.76 98.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.864 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -61.13 -38.54 86.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.737 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.4 tm-20 -63.07 -39.28 94.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.149 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.45 -40.67 97.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.199 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.6 -41.98 95.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.335 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' C' ' 99' ' ' GLU . 54.7 mtpt -89.2 141.61 28.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.47 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . 0.436 ' OXT' ' O ' ' C' ' 102' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.585 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.866 0.841 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.76 143.02 36.74 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.33 38.63 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.042 -1.036 . . . . 0.0 109.513 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.14 149.23 28.55 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.28 19.02 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.04 -1.037 . . . . 0.0 108.408 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.71 144.43 19.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.74 136.49 37.2 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.116 0.96 . . . . 0.0 110.18 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.4 mt -84.83 114.28 24.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.86 -4.32 19.36 Favored 'General case' 0 C--N 1.265 -3.078 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.818 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.48 141.84 85.9 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 119.717 -1.864 . . . . 0.0 110.616 178.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.53 -47.7 12.91 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 124.753 3.636 . . . . 0.0 114.124 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -102.1 27.6 6.5 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 116.085 -2.246 . . . . 0.0 108.836 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.91 -124.53 23.73 Favored Glycine 0 N--CA 1.497 2.755 0 C-N-CA 117.605 -2.236 . . . . 0.0 109.627 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 78.08 1.81 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.938 -1.331 . . . . 0.0 109.519 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -84.78 176.58 8.43 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.831 -1.548 . . . . 0.0 112.151 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 7.5 p -22.48 -69.24 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 117.308 2.336 . . . . 0.0 117.308 -176.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.563 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 10.4 ttt-85 -46.37 -65.96 0.6 Allowed Pre-proline 0 N--CA 1.493 1.694 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.498 -177.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.35 -32.13 61.51 Favored 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.464 1.443 . . . . 0.0 111.519 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.51 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.93 -39.03 87.22 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.221 -0.924 . . . . 0.0 109.469 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.88 -39.65 72.72 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -64.04 -39.37 93.94 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.463 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.73 -45.34 93.2 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.561 1.172 . . . . 0.0 108.675 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 319' ' ' ALA . 64.5 t -62.53 -42.28 95.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.255 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.768 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -63.82 -40.33 96.36 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.225 -0.922 . . . . 0.0 109.778 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.75 -39.72 80.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.485 -0.759 . . . . 0.0 109.595 177.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.95 91.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.525 -1.359 . . . . 0.0 109.425 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.44 -16.15 44.1 Favored 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.96 -10.48 86.19 Favored Glycine 0 N--CA 1.478 1.5 0 O-C-N 119.913 -1.742 . . . . 0.0 109.319 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.48 143.29 32.91 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.233 -1.745 . . . . 0.0 110.013 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.2 p -75.56 -30.03 59.56 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.233 -0.917 . . . . 0.0 112.377 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.76 158.52 10.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 119.857 -1.777 . . . . 0.0 112.828 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.28 35.46 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 102.877 -3.009 . . . . 0.0 102.877 171.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.72 136.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.441 0 CA-C-O 122.178 0.99 . . . . 0.0 109.289 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -125.02 143.14 51.06 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-O 123.142 1.449 . . . . 0.0 110.002 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.05 129.89 61.48 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.724 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 173.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.2 m -127.47 119.51 26.27 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.887 -1.133 . . . . 0.0 108.888 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.53 122.62 39.33 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.563 -0.711 . . . . 0.0 109.887 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.93 24.34 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.962 -1.086 . . . . 0.0 112.78 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 10.96 83.59 Favored Glycine 0 N--CA 1.501 3.019 0 O-C-N 119.957 -1.714 . . . . 0.0 112.565 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.27 54.56 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 177.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.71 158.6 32.83 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-O 123.801 1.762 . . . . 0.0 112.432 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.38 31.3 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 112.451 -2.159 . . . . 0.0 108.582 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.62 136.01 48.84 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 173.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.428 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.0 -6.77 47.68 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.732 -1.23 . . . . 0.0 110.703 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.89 31.79 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.669 -1.27 . . . . 0.0 109.358 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.0 t -133.05 104.13 6.38 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 122.15 0.976 . . . . 0.0 110.135 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.17 -37.87 72.77 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.002 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -58.93 -51.32 70.56 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.577 -1.327 . . . . 0.0 113.042 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.44 70.52 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 119.516 -1.99 . . . . 0.0 109.218 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.78 -33.78 75.89 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 118.998 -1.081 . . . . 0.0 109.918 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.541 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.66 -10.44 52.29 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.601 -0.687 . . . . 0.0 109.888 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 42.7 p -89.78 -7.74 53.73 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 118.099 -1.441 . . . . 0.0 110.95 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.29 159.25 15.35 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.195 -0.941 . . . . 0.0 110.212 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.86 2.96 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.59 47.41 1.72 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.631 -1.511 . . . . 0.0 107.43 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.899 HG22 HG21 ' C' ' 56' ' ' THR . 4.2 p -81.38 172.5 13.48 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.822 -1.151 . . . . 0.0 109.251 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.7 140.91 57.33 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.922 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.17 78.89 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 119.941 -1.123 . . . . 0.0 111.332 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.51 135.89 34.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.87 -1.37 . . . . 0.0 110.633 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.48 123.73 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.486 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.14 160.1 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.39 -1.724 . . . . 0.0 110.687 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.95 128.32 54.83 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.512 -1.367 . . . . 0.0 107.591 175.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.7 mt -107.81 121.38 60.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 176.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.31 50.7 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.47 -1.292 . . . . 0.0 109.714 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.81 6.42 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 118.513 -1.275 . . . . 0.0 108.041 178.115 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.29 40.16 Favored Glycine 0 C--N 1.296 -1.694 0 C-N-CA 118.024 -2.036 . . . . 0.0 110.411 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.38 -40.64 82.85 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 114.439 -0.881 . . . . 0.0 112.205 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.05 36.82 3.53 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 115.875 -2.33 . . . . 0.0 108.53 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.35 -33.61 65.82 Favored 'General case' 0 N--CA 1.52 3.074 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.437 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.68 27.55 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.633 -1.917 . . . . 0.0 111.0 -176.602 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.823 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.76 97.95 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.5 77.65 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 117.415 -1.714 . . . . 0.0 110.079 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.75 -42.3 89.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 122.24 1.019 . . . . 0.0 109.317 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.85 -47.86 76.54 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-O 122.048 0.928 . . . . 0.0 108.814 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.823 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.81 -38.36 76.56 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.699 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.53 -28.67 59.17 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.352 -1.468 . . . . 0.0 110.885 -174.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.83 -49.23 63.32 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.36 -45.2 84.63 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.513 177.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.486 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.32 85.27 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.96 -1.088 . . . . 0.0 111.518 -177.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.88 61.67 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.144 -0.972 . . . . 0.0 110.279 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.84 -32.38 46.1 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 111.325 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.03 125.52 12.31 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 124.251 1.977 . . . . 0.0 112.922 178.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.818 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.6 mm-40 . . . . . 0 C--N 1.277 -2.557 0 CA-C-N 111.096 -2.775 . . . . 0.0 110.082 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.593 ' O2 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -57.41 -36.43 71.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 6' ' ' GLU . 79.1 mm-40 -58.43 -77.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.457 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.0 mt -36.98 -38.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.423 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.26 -45.94 82.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.941 0.4 . . . . 1.9399999999999999 110.257 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.1 tt0 -68.76 -36.78 78.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.547 HG11 HD11 ' A' ' 58' ' ' LEU . 90.3 t -63.64 -42.86 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.38 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 4' ' ' LEU . 91.1 t -60.84 -43.82 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.924 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.54 ' CE ' HD22 ' D' ' 347' ' ' LEU . 89.5 mtp -59.47 -42.18 91.44 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.523 -0.547 . . . . 0.17999999999999999 109.523 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.62 -42.08 98.88 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.276 -1.129 . . . . 0.0 110.276 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.431 HD13 ' OE1' ' A' ' 55' ' ' GLN . 37.2 mt -62.88 -42.54 99.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.824 0.345 . . . . 0.0 110.23 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.4 -43.89 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.944 -0.571 . . . . 0.20000000000000001 109.759 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.553 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.0 mt -63.68 -44.6 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 0.01 109.973 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.05 -45.78 92.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.747 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.0 t -61.52 -44.2 97.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.969 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.69 -44.32 96.54 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.487 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.0 mm-40 -62.9 -45.55 92.0 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.29 82.16 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.578 ' NH2' ' OG1' ' A' ' 83' ' ' THR . 43.4 ttm180 -60.14 -47.21 86.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.0 p -56.43 -42.98 78.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.72 -41.95 99.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.718 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.584 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -57.05 -48.75 77.79 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -60.78 -40.44 92.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.581 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.12 94.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.786 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.76 91.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.702 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.86 -45.01 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.453 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -55.55 -42.14 74.21 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.41 -41.21 96.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.755 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.56 95.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.695 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.55 -29.09 69.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.168 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -80.81 -4.54 55.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.456 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 15.39 68.1 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -99.59 79.36 2.25 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.771 0.319 . . . . 0.0 110.333 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.72 -34.3 78.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.661 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.37 79.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 110.73 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.87 82.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.72 82.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.594 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.48 -43.43 98.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.74 98.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.33 -42.41 92.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.503 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.53 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.4 mtm -64.1 -40.22 95.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.635 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.08 -46.41 89.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.006 0.431 . . . . 0.0 110.593 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.02 -41.65 97.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.208 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 m -60.88 -45.6 93.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -60.35 -42.38 95.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.292 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.44 -41.55 97.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.227 0.537 . . . . 0.0 110.567 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.67 97.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.185 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.59 -39.54 91.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.62 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 51.3 t-20 -59.81 -42.92 94.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.286 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.82 -39.66 91.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.23 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.01 -45.79 80.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.49 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -61.64 -38.08 86.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.026 -0.534 . . . . 0.089999999999999997 110.361 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.9 mt -60.26 -43.54 96.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.0 -43.1 96.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 110.064 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.431 ' OE1' HD13 ' A' ' 11' ' ' LEU . 46.9 tp60 -60.15 -44.11 95.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.24 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.4 m -57.03 -42.66 80.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.059999999999999998 110.056 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.24 -39.49 86.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.482 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.547 HD22 HD22 ' A' ' 4' ' ' LEU . 95.8 mt -69.4 -39.37 77.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.645 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.55 -39.93 83.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.050000000000000003 110.843 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -84.15 -12.83 54.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.503 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.5 -17.22 43.05 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -86.27 111.8 20.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.46 139.15 57.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.481 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . -98.32 -7.45 55.97 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.28 111.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.677 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.31 -28.98 7.49 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 68' ' ' MET . 68.7 mttm -105.45 147.54 28.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.629 0.252 . . . . 0.0 110.504 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.59 ' SD ' HG23 ' B' ' 73' ' ' VAL . 67.2 mtt -53.22 -162.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.616 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.724 ' HG2' HG13 ' A' ' 70' ' ' VAL . 88.1 tttt -42.83 -101.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.893 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 69' ' ' LYS . 34.0 m -94.23 -143.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.708 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.9 p -132.22 166.07 22.68 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.484 HD11 HG21 ' C' ' 75' ' ' VAL . 55.6 tp -56.86 -42.29 79.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.668 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.481 ' CG1' HG21 ' A' ' 8' ' ' VAL . 71.6 t -63.35 -45.39 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.856 0.36 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.06 -41.02 97.7 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.014 0.435 . . . . 0.11 110.892 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.46 HG21 HD11 ' B' ' 72' ' ' LEU . 42.6 t -59.97 -47.53 91.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.807 -0.633 . . . . 0.38 110.218 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.78 -46.12 88.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.819 0.342 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.21 99.35 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.814 0.34 . . . . 0.059999999999999998 110.714 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.64 -38.49 90.47 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.112 -0.495 . . . . 1.0900000000000001 110.125 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 83' ' ' THR . 39.0 tp -56.89 -47.13 81.2 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.361 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.621 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 52.2 m80 -68.3 -46.39 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.738 -0.385 . . . . 0.080000000000000002 110.768 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.57 -46.41 90.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.844 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.33 -43.54 98.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.187 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.578 ' OG1' ' NH2' ' A' ' 19' ' ' ARG . 23.7 p -62.11 -45.05 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.15 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -61.8 -49.07 77.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 54.2 ttp -57.42 -47.42 81.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.546 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.16 -44.92 96.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.922 0.392 . . . . 0.0 110.163 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.14 86.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.837 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -57.66 -46.72 83.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.105 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 98.3 mt-10 -61.57 -43.08 99.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.061 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.46 -42.84 91.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.127 0.489 . . . . 0.0 109.821 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.584 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 74.7 mt -61.04 -42.34 92.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.349 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.5 m -58.47 -45.23 89.03 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.5 mt-10 -64.11 -43.43 95.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.594 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.53 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 76.5 mt -59.13 -43.75 92.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.53 HD12 ' SD ' ' A' ' 41' ' ' MET . 87.0 mt -60.88 -42.95 94.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.514 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -60.7 -40.21 91.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.49 -41.82 99.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.884 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.9 m80 -59.57 -40.19 86.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -60.98 -40.42 93.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.185 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.59 -34.49 78.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.201 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.3 mt -81.64 -3.44 53.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.373 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 56.66 23.06 7.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.52 -179.752 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -57.69 -36.54 72.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.592 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.2 mm-40 -58.42 -77.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.693 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.0 mt -37.05 -38.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.546 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.61 -45.65 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 1.9399999999999999 110.359 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 3' ' ' GLU . 80.7 tt0 -68.61 -37.0 79.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.24 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.553 HG11 HD11 ' B' ' 58' ' ' LEU . 87.7 t -63.59 -42.85 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.406 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.693 HG23 ' O ' ' B' ' 4' ' ' LEU . 89.5 t -60.78 -43.9 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.89 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.53 -42.04 91.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.586 -0.524 . . . . 0.17999999999999999 109.586 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.06 98.71 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 11' ' ' LEU . 37.7 mt -62.69 -42.66 99.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 110.309 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.433 HD11 ' NZ ' ' A' ' 69' ' ' LYS . 97.4 mt -63.37 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.545 . . . . 0.28999999999999998 109.704 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.51 -44.74 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.537 . . . . 0.02 109.912 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.1 -45.73 92.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.834 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -61.55 -43.97 97.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.125 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.09 96.56 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.1 mm-40 -63.13 -45.06 93.74 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.14 82.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.952 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.571 ' NH2' ' OG1' ' B' ' 83' ' ' THR . 43.6 ttm180 -60.25 -46.88 88.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.1 p -57.04 -42.89 81.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.66 -41.96 99.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.755 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -57.29 -48.67 78.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.408 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.7 m-85 -60.79 -40.46 92.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.717 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.05 93.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.753 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.12 91.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.602 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.55 -44.99 96.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.295 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -55.77 -42.14 75.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.21 -41.2 96.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.863 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.84 96.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.733 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.26 -29.2 69.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.026 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -80.95 -4.52 55.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.7 15.6 67.72 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -99.74 79.05 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.812 0.339 . . . . 0.0 110.374 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -64.62 -34.09 77.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.593 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.66 78.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.56 81.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.384 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.98 -47.5 82.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.59 -43.51 98.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 0.0 110.558 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.9 98.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.38 -42.37 92.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.522 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.3 mtm -63.96 -40.69 97.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.505 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.91 -46.34 89.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.51 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -63.83 -41.64 97.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.315 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -61.2 -45.35 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.474 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -60.39 -42.37 95.74 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.233 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 59.7 mtt -61.56 -41.45 97.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.278 0.561 . . . . 0.0 110.691 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.13 97.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.114 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.34 -39.4 92.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.739 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -60.1 -42.97 95.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.342 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.58 -39.85 92.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.175 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.8 -46.1 79.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.498 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -61.34 -38.08 85.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.089999999999999997 110.306 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.9 mt -60.32 -43.47 96.34 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.32 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.92 -43.41 96.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.063 0.459 . . . . 0.0 109.976 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.422 ' OE1' HD13 ' B' ' 11' ' ' LEU . 46.7 tp60 -59.94 -44.18 94.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.225 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 11.7 m -56.9 -43.21 81.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.059999999999999998 109.981 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.9 -39.59 85.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.87 0.367 . . . . 0.0 110.532 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.561 HD22 HD22 ' B' ' 4' ' ' LEU . 96.1 mt -69.42 -39.13 78.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.668 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.0 mt -67.66 -39.75 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.09 -0.505 . . . . 0.040000000000000001 110.742 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -84.38 -13.04 53.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.01 -17.4 43.89 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -86.33 112.33 21.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 0.0 110.572 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.16 139.62 56.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . -98.68 -7.69 55.3 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.91 111.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 110.624 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.49 -29.0 7.57 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' B' ' 68' ' ' MET . 68.8 mttm -105.7 147.85 28.08 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.579 0.228 . . . . 0.0 110.458 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . 0.582 ' SD ' HG23 ' C' ' 73' ' ' VAL . 67.3 mtt -53.4 -162.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.687 ' NZ ' ' NE2' ' C' ' 76' ' ' HIS . 88.1 tttt -42.91 -101.2 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.682 HG13 ' HG2' ' B' ' 69' ' ' LYS . 34.1 m -92.47 -145.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.773 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 95.2 p -131.49 167.59 19.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.51 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 75' ' ' VAL . 60.5 tp -59.39 -41.96 90.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.571 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.59 HG23 ' SD ' ' A' ' 68' ' ' MET . 65.7 t -62.71 -44.7 99.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.585 -178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.38 -41.12 98.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.11 110.959 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.442 HG21 HD11 ' C' ' 72' ' ' LEU . 43.7 t -59.87 -46.52 93.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.768 -0.651 . . . . 0.38 110.285 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.689 ' NE2' ' NZ ' ' A' ' 69' ' ' LYS . 47.8 t60 -59.57 -46.06 90.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.91 -0.316 . . . . 1.1100000000000001 110.325 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.07 99.77 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.911 0.386 . . . . 0.059999999999999998 110.439 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.42 -38.64 90.46 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.141 -0.481 . . . . 1.0900000000000001 110.259 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 83' ' ' THR . 36.1 tp -56.83 -47.37 80.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.405 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -68.03 -46.35 71.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.080000000000000002 110.733 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.71 -46.35 90.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.772 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.34 -43.56 98.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.186 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.571 ' OG1' ' NH2' ' B' ' 19' ' ' ARG . 22.7 p -62.07 -44.86 95.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.155 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -61.79 -49.1 77.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.574 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 55.0 ttp -57.6 -47.18 82.85 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.453 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.39 -45.06 95.95 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.106 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.22 85.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.871 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.77 -46.56 84.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.322 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.451 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 98.6 mt-10 -61.36 -43.24 99.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.133 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.49 -43.01 91.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.113 0.483 . . . . 0.0 109.968 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.571 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 75.6 mt -60.81 -42.54 92.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.172 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 76.5 m -58.41 -45.27 88.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.084 0.469 . . . . 0.0 109.918 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.54 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.0 mt-10 -64.04 -43.54 95.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.475 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.4 mt -58.96 -43.63 91.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.522 HD12 ' SD ' ' B' ' 41' ' ' MET . 86.0 mt -61.12 -42.61 93.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.516 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -60.98 -40.19 92.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.723 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.66 -42.0 99.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.833 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.8 m80 -59.17 -40.29 85.15 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.05 -40.38 93.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.124 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.53 -34.4 78.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.192 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 53.9 mt -81.58 -3.67 53.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.317 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 56.49 23.3 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.607 -179.929 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -57.9 -36.33 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.0 mm-40 -58.4 -76.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.362 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.691 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.8 mt -37.09 -38.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.34 -45.84 82.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 1.9399999999999999 110.429 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' C' ' 3' ' ' GLU . 80.8 tt0 -68.45 -37.02 79.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.375 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.549 HG11 HD11 ' C' ' 58' ' ' LEU . 90.3 t -63.57 -43.03 98.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.379 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.691 HG23 ' O ' ' C' ' 4' ' ' LEU . 88.2 t -60.66 -43.81 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.031 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.52 -42.29 91.91 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.558 -0.534 . . . . 0.17999999999999999 109.558 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.5 -42.31 98.98 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' C' ' 11' ' ' LEU . 38.1 mt -62.49 -42.44 99.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 110.417 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.43 HD11 ' NZ ' ' B' ' 69' ' ' LYS . 97.4 mt -63.52 -43.96 98.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.29999999999999999 109.677 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.56 -44.75 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.509 . . . . 0.02 110.083 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.0 -45.68 92.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.783 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -61.49 -44.41 97.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.171 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.61 -44.09 97.0 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.491 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -62.97 -45.47 92.29 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.28 -48.53 81.28 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.571 ' NH2' ' OG1' ' C' ' 83' ' ' THR . 43.7 ttm180 -59.86 -46.98 87.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.3 p -57.1 -42.7 81.28 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.75 -41.89 99.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.708 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -57.24 -48.69 78.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.433 0.635 . . . . 0.0 109.327 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.451 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -60.87 -40.13 91.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.558 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.89 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.715 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.14 91.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.584 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.56 -44.83 96.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.41 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -55.96 -41.59 74.94 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.404 ' NE2' HE22 ' C' ' 31' ' ' GLN . 99.2 mm-40 -61.87 -40.57 95.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.895 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.41 97.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.785 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.95 -28.99 69.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.049 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.404 HE22 ' NE2' ' C' ' 28' ' ' GLN . 52.4 mt-30 -80.6 -4.9 55.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.94 15.38 67.55 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -99.54 79.11 2.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.776 0.322 . . . . 0.0 110.267 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.61 -33.97 77.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.54 78.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.081 0.467 . . . . 0.0 110.7 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.07 79.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.384 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.47 81.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.452 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.64 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.567 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.31 99.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.04 -42.14 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.524 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.528 ' SD ' HD12 ' C' ' 95' ' ' ILE . 74.4 mtm -64.2 -40.17 95.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.591 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.4 -46.57 88.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.431 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.78 -41.49 97.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.326 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -61.01 -45.57 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.547 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -60.34 -42.54 95.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.349 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.27 -41.63 97.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.34 0.59 . . . . 0.0 110.527 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.81 98.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.278 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.65 -39.66 91.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.665 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -59.98 -42.82 95.03 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.413 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.48 -39.96 92.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.013 0.435 . . . . 0.0 110.057 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.96 80.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.423 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.577 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 62.7 t-80 -61.53 -37.84 85.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.536 . . . . 0.089999999999999997 110.346 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.54 -43.12 97.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.291 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.09 -43.17 95.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.06 0.457 . . . . 0.0 110.023 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.436 ' OE1' HD13 ' C' ' 11' ' ' LEU . 46.6 tp60 -60.41 -44.12 96.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.249 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.827 HG21 HG22 ' D' ' 356' ' ' THR . 10.8 m -57.0 -42.92 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.059999999999999998 110.12 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.78 -39.83 86.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.507 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.564 HD22 HD22 ' C' ' 4' ' ' LEU . 96.3 mt -69.1 -39.42 79.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.35 -39.83 83.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.059999999999999998 110.849 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.533 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -84.37 -12.85 53.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.0 -17.61 43.1 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -86.38 112.11 21.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.848 0.356 . . . . 0.0 110.601 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.96 139.47 56.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . -98.43 -7.16 56.16 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.51 111.83 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 110.637 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.34 -29.35 7.21 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' C' ' 68' ' ' MET . 68.8 mttm -105.22 147.81 27.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.637 0.256 . . . . 0.0 110.562 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . 0.503 ' O ' ' O ' ' C' ' 69' ' ' LYS . 67.2 mtt -53.51 -162.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.561 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 1.035 ' HZ1' HG21 ' D' ' 316' ' ' THR . 87.9 tttt -42.91 -101.32 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.662 HG13 ' HG2' ' C' ' 69' ' ' LYS . 34.3 m -92.53 -145.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.681 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 93.6 p -130.57 169.68 15.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.513 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.442 HD11 HG21 ' B' ' 75' ' ' VAL . 51.1 tp -59.22 -43.45 92.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.662 -177.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.582 HG23 ' SD ' ' B' ' 68' ' ' MET . 63.6 t -62.88 -45.05 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 130.194 3.397 . . . . 0.0 110.584 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.42 -40.9 96.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.115 0.483 . . . . 0.11 111.051 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.484 HG21 HD11 ' A' ' 72' ' ' LEU . 44.5 t -59.99 -47.54 91.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.732 -0.667 . . . . 0.40000000000000002 110.175 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.687 ' NE2' ' NZ ' ' B' ' 69' ' ' LYS . 47.8 t60 -59.24 -46.27 88.93 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.871 -0.332 . . . . 1.02 110.307 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.51 98.64 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.935 0.398 . . . . 0.059999999999999998 110.421 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.04 -38.71 89.74 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.269 -0.423 . . . . 1.0900000000000001 110.24 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.548 ' O ' HG23 ' C' ' 83' ' ' THR . 36.2 tp -56.68 -47.39 79.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.429 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.406 ' O ' ' OG1' ' C' ' 83' ' ' THR . 51.5 m80 -68.13 -46.33 71.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.312 -0.404 . . . . 0.080000000000000002 110.748 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.64 -46.43 90.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.16 -43.23 99.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.448 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.571 ' OG1' ' NH2' ' C' ' 19' ' ' ARG . 23.1 p -62.5 -45.02 94.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.173 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -61.64 -49.01 78.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 54.6 ttp -57.39 -47.47 81.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.53 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.23 -45.04 96.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.003 0.43 . . . . 0.0 110.208 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.23 85.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.979 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.9 -46.7 84.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.246 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.0 -43.39 98.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.959 0.409 . . . . 0.0 110.178 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.42 -43.01 91.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.196 0.522 . . . . 0.0 109.957 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.569 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 75.3 mt -60.76 -42.68 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.342 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 77.7 m -58.29 -44.95 88.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.114 0.483 . . . . 0.0 109.975 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.41 -43.33 94.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.54 HD13 ' OE1' ' B' ' 93' ' ' GLU . 75.5 mt -59.14 -43.58 92.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.528 HD12 ' SD ' ' C' ' 41' ' ' MET . 86.3 mt -60.9 -42.82 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.624 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -60.68 -40.18 91.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.743 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.7 -41.97 99.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.871 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.6 m80 -59.4 -40.34 86.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.728 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.89 -40.41 92.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.161 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.44 -34.43 78.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.28 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 mt -81.68 -3.69 54.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.341 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 56.85 22.84 7.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.448 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.519 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.947 0.879 . . . . 0.0 108.891 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.5 t80 -139.82 143.0 36.61 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.4 38.8 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.012 -1.055 . . . . 0.0 109.534 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.22 149.2 28.47 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.23 152.35 18.93 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.04 -1.037 . . . . 0.0 108.389 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.43 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.77 136.62 37.06 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.19 0.995 . . . . 0.0 110.108 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.87 114.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.93 -4.15 19.42 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.819 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.58 141.81 85.63 Favored Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 119.684 -1.885 . . . . 0.0 110.62 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.5 -47.62 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 124.733 3.622 . . . . 0.0 114.145 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.577 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 89.3 m-20 -102.26 27.64 6.55 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 116.062 -2.255 . . . . 0.0 108.734 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 70.11 -115.69 6.27 Favored Glycine 0 N--CA 1.496 2.699 0 C-N-CA 117.617 -2.23 . . . . 0.0 109.569 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.75 HD11 HD23 ' D' ' 384' ' ' LEU . 4.5 tp -138.2 58.63 1.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.937 -1.331 . . . . 0.0 109.517 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -60.09 172.63 0.76 Allowed 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 117.864 -1.535 . . . . 0.0 112.158 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 1.035 HG21 ' HZ1' ' C' ' 69' ' ' LYS . 32.0 p -30.13 -68.34 0.08 Allowed 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -176.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -39.07 -65.38 0.4 Allowed Pre-proline 0 N--CA 1.493 1.687 0 C-N-CA 120.077 -0.649 . . . . 0.0 112.547 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.94 -32.17 55.0 Favored 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 121.643 1.562 . . . . 0.0 111.468 175.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.501 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.83 86.66 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.462 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.553 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.97 -39.71 72.35 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.92 -39.41 94.1 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.443 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.72 -45.28 93.49 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 122.554 1.169 . . . . 0.0 108.677 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 319' ' ' ALA . 62.6 t -62.71 -42.23 95.36 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.684 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -63.84 -40.25 96.15 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.212 -0.93 . . . . 0.0 109.774 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.81 -39.74 79.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.368 -0.832 . . . . 0.0 109.567 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.03 91.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.682 -1.261 . . . . 0.0 109.418 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.24 -16.28 43.53 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.88 -10.63 86.04 Favored Glycine 0 N--CA 1.479 1.542 0 O-C-N 119.92 -1.737 . . . . 0.0 109.307 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.45 143.29 32.91 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.249 -1.736 . . . . 0.0 110.016 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.3 p -75.57 -30.03 59.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.264 -0.897 . . . . 0.0 112.363 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.77 158.56 10.17 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 119.752 -1.843 . . . . 0.0 112.806 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.99 130.21 35.29 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 102.869 -3.012 . . . . 0.0 102.869 171.256 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.68 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.436 0 CA-C-O 122.219 1.009 . . . . 0.0 109.285 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.96 143.15 51.03 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 123.104 1.431 . . . . 0.0 109.994 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.9 t -108.03 129.95 61.35 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.765 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 173.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.47 119.6 26.47 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.893 -1.129 . . . . 0.0 108.946 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.63 122.56 39.11 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.592 -0.693 . . . . 0.0 109.863 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.68 39.04 24.37 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.877 -1.139 . . . . 0.0 112.786 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.65 11.0 83.57 Favored Glycine 0 N--CA 1.503 3.128 0 O-C-N 119.972 -1.705 . . . . 0.0 112.515 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.3 54.54 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.81 158.53 33.16 Favored 'General case' 0 C--N 1.275 -2.64 0 CA-C-O 123.849 1.785 . . . . 0.0 112.403 -175.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.3 31.26 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-N 112.461 -2.154 . . . . 0.0 108.651 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.54 135.98 48.96 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 173.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.96 -6.85 48.05 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.68 -1.263 . . . . 0.0 110.72 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.4 12.93 31.48 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.684 -1.26 . . . . 0.0 109.372 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.5 t -133.07 104.1 6.35 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 122.163 0.982 . . . . 0.0 110.199 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.54 HD22 ' CE ' ' A' ' 9' ' ' MET . 44.8 tp -57.15 -37.98 72.84 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.907 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -58.89 -51.38 70.3 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.635 -1.29 . . . . 0.0 113.033 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.08 -32.41 70.46 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 119.522 -1.986 . . . . 0.0 109.245 -178.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.84 -33.7 75.8 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.937 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.533 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.6 -10.57 53.19 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.645 -0.659 . . . . 0.0 109.94 -177.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.7 p -89.68 -7.71 54.0 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 118.159 -1.417 . . . . 0.0 110.908 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.8 mt -93.44 159.35 15.28 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.209 -0.932 . . . . 0.0 110.08 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.81 2.97 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.1 mt -119.6 47.48 1.7 Allowed 'General case' 0 C--N 1.309 -1.185 0 O-C-N 120.714 -1.462 . . . . 0.0 107.405 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.827 HG22 HG21 ' C' ' 56' ' ' THR . 2.6 p -81.46 172.49 13.46 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.886 -1.126 . . . . 0.0 109.197 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -60.66 140.92 57.29 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.857 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.19 79.06 Favored Glycine 0 N--CA 1.5 2.93 0 C-N-CA 120.015 -1.088 . . . . 0.0 111.387 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.5 m -84.39 135.88 34.1 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 120.891 -1.358 . . . . 0.0 110.663 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.3 t -96.53 123.65 48.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.09 160.08 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 117.402 -1.719 . . . . 0.0 110.66 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 87.1 m -108.84 128.33 54.81 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 120.483 -1.385 . . . . 0.0 107.668 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.2 mt -107.84 121.36 60.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.421 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.64 147.22 50.72 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.67 153.5 47.29 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 118.482 -1.287 . . . . 0.0 109.773 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.29 110.73 6.37 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 118.547 -1.261 . . . . 0.0 108.085 178.175 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.29 -170.26 40.16 Favored Glycine 0 C--N 1.296 -1.69 0 C-N-CA 117.982 -2.056 . . . . 0.0 110.333 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.58 82.96 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-N 114.389 -0.905 . . . . 0.0 112.159 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.99 36.62 3.61 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 115.921 -2.311 . . . . 0.0 108.569 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.49 65.67 Favored 'General case' 0 N--CA 1.521 3.119 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.61 27.32 Favored 'General case' 0 N--CA 1.508 2.47 0 O-C-N 119.544 -1.973 . . . . 0.0 111.022 -176.61 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.83 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.66 97.65 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.25 -49.48 77.66 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 117.518 -1.673 . . . . 0.0 110.014 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.79 -42.28 89.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-O 122.214 1.007 . . . . 0.0 109.279 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.77 -47.97 76.11 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.078 0.942 . . . . 0.0 108.792 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.83 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.75 -38.3 76.76 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.738 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.64 -28.62 58.86 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.428 -1.42 . . . . 0.0 110.875 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.45 -39.46 71.22 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.97 -49.2 63.1 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.21 -45.24 84.01 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 118.974 -1.09 . . . . 0.0 110.523 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.41 -37.31 85.31 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.836 -1.165 . . . . 0.0 111.56 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.81 61.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.026 -1.046 . . . . 0.0 110.295 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.92 -32.21 45.52 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.564 -0.71 . . . . 0.0 111.347 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.75 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.08 125.46 12.25 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 124.313 2.006 . . . . 0.0 112.913 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.819 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.6 mm-40 . . . . . 0 C--N 1.277 -2.578 0 CA-C-N 111.088 -2.778 . . . . 0.0 110.166 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.621 ' O1 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.49 -38.47 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.557 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 6' ' ' GLU . 96.7 mt-10 -58.42 -77.74 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.44 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 8' ' ' VAL . 58.1 mt -38.08 -38.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.435 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -63.37 -48.26 78.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.917 0.389 . . . . 1.9399999999999999 110.28 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.2 tt0 -66.32 -34.63 78.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.259 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.81 -42.44 95.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.357 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 4' ' ' LEU . 93.7 t -61.42 -44.1 97.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.964 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.2 mtp -59.1 -41.85 89.1 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.499 -0.556 . . . . 0.17999999999999999 109.499 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.44 98.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 11' ' ' LEU . 34.8 mt -63.31 -42.4 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.235 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.93 -44.61 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.20000000000000001 109.799 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.31 -43.96 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.513 . . . . 0.01 109.959 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.8 -46.03 92.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.771 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 m -59.64 -43.89 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.902 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.06 -42.36 99.6 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.4 mm-40 -63.04 -44.06 96.94 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.22 -48.57 81.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.545 HH12 ' HB2' ' A' ' 87' ' ' ALA . 63.8 ttm-85 -61.15 -46.61 89.85 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 77.9 p -56.01 -43.64 77.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.25 -41.47 98.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.679 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.627 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -56.86 -47.97 79.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -59.39 -40.6 87.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.575 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.37 87.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.734 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -43.05 90.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.674 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.05 -45.17 94.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.449 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.8 -42.56 71.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.56 -41.8 90.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.771 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.44 94.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.69 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.5 -31.01 70.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.166 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.58 -5.02 59.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.47 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.33 17.53 73.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -97.78 81.12 2.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.761 0.315 . . . . 0.0 110.252 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -64.36 -33.63 76.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.22 80.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.031 0.443 . . . . 0.0 110.748 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.51 81.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.06 81.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.02 -41.75 98.42 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.578 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.68 99.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.747 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.1 mtt -65.7 -41.97 91.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.411 ' SD ' HG23 ' A' ' 92' ' ' THR . 72.1 mtm -63.81 -41.28 97.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.61 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.37 -45.45 93.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.04 0.448 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.04 -41.65 97.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.257 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.0 m -60.38 -46.23 90.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.525 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.89 -42.23 97.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.327 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.03 -42.47 99.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.214 0.53 . . . . 0.0 110.58 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.28 98.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.15 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.0 mt -65.0 -39.67 93.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.655 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -60.49 -42.11 95.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.211 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.58 -40.99 93.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.169 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.57 89.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.511 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -63.54 -37.6 87.92 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.058 -0.519 . . . . 0.089999999999999997 110.405 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.3 mt -60.64 -44.48 96.35 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.33 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.31 -42.59 94.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.069 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.437 HE22 HD23 ' A' ' 74' ' ' LEU . 66.6 tp60 -59.46 -44.21 93.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.279 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 m -56.74 -41.97 78.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.059999999999999998 110.028 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.84 -40.07 91.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.962 0.41 . . . . 0.0 110.582 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.68 -38.38 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.658 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.8 mt -71.08 -38.21 70.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.516 . . . . 0.050000000000000003 110.86 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -80.17 -16.2 55.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.435 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.44 -16.82 38.65 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 66.9 t0 -95.38 -28.32 15.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.617 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.64 90.31 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.541 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.31 176.5 35.64 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.4 114.42 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.717 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.11 -0.34 73.78 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -97.68 143.37 28.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.711 0.291 . . . . 0.0 110.447 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mmm -64.39 139.91 58.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -87.38 -8.08 57.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 70' ' ' VAL . 4.6 p -105.22 124.16 59.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.0 p -129.4 163.05 26.65 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.562 ' HG ' HD21 ' B' ' 72' ' ' LEU . 25.8 mt -57.41 -45.77 84.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.552 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.541 HG13 HG21 ' A' ' 8' ' ' VAL . 74.0 t -64.84 -46.16 92.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.543 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.437 HD23 HE22 ' A' ' 55' ' ' GLN . 83.3 mt -63.24 -41.78 99.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.005 0.431 . . . . 0.11 110.916 -178.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 71' ' ' SER . 55.5 t -59.77 -47.48 91.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.805 -0.634 . . . . 0.38 110.191 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -58.94 -45.8 89.56 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.314 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.3 94.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.502 -0.317 . . . . 0.059999999999999998 110.668 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.31 -40.17 95.42 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.176 -0.465 . . . . 1.0900000000000001 110.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 83' ' ' THR . 45.6 tp -57.0 -46.87 81.99 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.423 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.477 ' NE2' ' O3 ' ' D' ' 200' ' ' PO3 . 43.0 m80 -68.11 -46.4 71.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.334 -0.394 . . . . 0.080000000000000002 110.686 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.94 -46.69 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.741 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.86 -43.11 99.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.216 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.6 p -63.99 -48.62 75.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.094 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.6 m -61.19 -49.36 77.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.471 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.9 ttp -57.5 -48.12 80.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.526 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.03 -45.06 95.24 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.027 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.545 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -58.77 -47.94 82.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.819 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -57.9 -45.26 86.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.163 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.2 mt-10 -62.0 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.111 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.49 -43.61 93.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 109.844 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.627 HD12 ' HB1' ' A' ' 22' ' ' ALA . 80.4 mt -60.38 -42.3 90.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.323 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.411 HG23 ' SD ' ' A' ' 41' ' ' MET . 74.3 m -57.73 -45.19 86.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.028 0.442 . . . . 0.0 109.897 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.95 -44.22 93.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.608 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.578 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.9 mt -59.22 -44.01 92.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.39 -42.65 94.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.441 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.25 -40.55 94.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.426 HD21 ' NE2' ' B' ' 98' ' ' HIS . 35.5 mt -62.31 -41.83 98.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.864 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 66.6 m80 -60.22 -40.56 90.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.85 -38.78 92.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.177 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -63.51 -40.79 97.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.147 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.5 -42.17 95.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -84.4 132.73 34.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.496 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.497 -179.84 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -60.95 -38.88 87.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.613 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -58.19 -77.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.583 ' O ' HG23 ' B' ' 8' ' ' VAL . 58.0 mt -38.27 -38.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.413 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.35 -48.25 78.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.879 0.371 . . . . 1.9399999999999999 110.319 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.9 tt0 -66.22 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.165 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.98 -42.54 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.357 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 4' ' ' LEU . 92.9 t -61.37 -43.97 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.901 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -59.11 -41.93 89.34 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.589 -0.522 . . . . 0.17999999999999999 109.589 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.16 -42.1 98.13 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 11' ' ' LEU . 36.3 mt -62.76 -42.69 99.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.769 0.319 . . . . 0.0 110.339 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.96 -44.13 99.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.28999999999999998 109.723 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.53 -44.05 98.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.891 -0.595 . . . . 0.02 109.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.89 -45.99 92.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.83 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.4 m -59.71 -43.91 93.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.059 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.93 -42.3 99.7 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.4 mm-40 -62.89 -44.03 97.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.449 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -59.36 -48.64 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.878 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.536 HH12 ' HB2' ' B' ' 87' ' ' ALA . 63.8 ttm-85 -61.04 -46.43 90.77 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.0 p -56.34 -43.34 78.98 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.46 -41.62 98.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.723 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.633 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -56.75 -48.04 78.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.478 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 24.1 m-85 -59.29 -40.49 86.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.697 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.42 88.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.673 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -43.16 90.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.665 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.89 -45.39 93.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.385 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.63 -42.73 71.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.7 -41.71 91.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.907 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -43.23 93.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.678 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.74 -31.15 70.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.989 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.39 -5.11 59.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.351 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.23 17.32 74.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -97.46 81.18 2.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.776 0.322 . . . . 0.0 110.327 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.4 -33.78 76.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.555 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.39 80.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.012 0.434 . . . . 0.0 110.753 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.79 82.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.456 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.25 81.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.544 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.13 -41.72 98.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.586 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.41 99.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.628 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 63.1 mtt -65.88 -42.3 90.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.539 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.404 ' SD ' HG23 ' B' ' 92' ' ' THR . 72.7 mtm -63.52 -41.18 98.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -62.44 -45.45 93.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.51 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.16 -41.45 97.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.373 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.8 m -60.49 -46.16 91.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.485 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -61.12 -42.05 97.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.365 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.08 -42.25 99.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.225 0.536 . . . . 0.0 110.615 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.83 98.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.131 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' B' ' 18' ' ' ALA . 94.0 mt -65.36 -39.7 92.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.712 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -60.49 -41.97 95.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.329 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.75 -40.94 92.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.16 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.82 -43.11 89.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.498 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -63.03 -38.02 89.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.089999999999999997 110.289 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.1 mt -60.17 -44.59 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.342 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.21 -42.71 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 110.023 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.441 ' NE2' HD23 ' B' ' 74' ' ' LEU . 66.4 tp60 -59.42 -44.39 92.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.1 m -56.5 -42.27 78.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.059999999999999998 109.978 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.57 -40.12 90.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.948 0.404 . . . . 0.0 110.548 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.54 -38.56 87.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.751 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 86.4 mt -70.93 -38.24 71.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.035 -0.529 . . . . 0.040000000000000001 110.782 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -80.31 -16.27 55.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.601 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.19 -16.88 39.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.471 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 66.7 t0 -95.5 -28.28 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.8 90.14 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.464 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.9 176.82 36.52 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.55 114.42 4.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.635 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.5 -0.46 75.76 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -97.81 143.61 28.25 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.67 0.271 . . . . 0.0 110.472 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.6 mmm -64.66 140.64 58.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.667 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -87.81 -7.74 56.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.421 HG13 ' O ' ' B' ' 70' ' ' VAL . 5.5 p -106.2 123.88 61.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.821 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.541 ' O ' HG23 ' B' ' 75' ' ' VAL . 15.8 p -128.95 164.17 23.73 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.521 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.567 ' HG ' HD21 ' C' ' 72' ' ' LEU . 23.8 mt -59.16 -45.59 90.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.578 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.53 HG13 HG21 ' B' ' 8' ' ' VAL . 70.8 t -64.1 -45.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.574 -178.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.441 HD23 ' NE2' ' B' ' 55' ' ' GLN . 83.7 mt -63.31 -41.53 98.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.042 0.449 . . . . 0.11 110.979 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 71' ' ' SER . 53.9 t -60.01 -47.1 93.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.757 -0.656 . . . . 0.38 110.296 -179.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.445 ' CE1' ' CE1' ' B' ' 80' ' ' HIS . 53.9 t-80 -59.11 -46.24 88.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.848 -0.341 . . . . 1.1100000000000001 110.245 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.25 95.4 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.839 0.352 . . . . 0.059999999999999998 110.441 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -62.26 -39.81 94.13 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.088 -0.506 . . . . 1.0900000000000001 110.298 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.549 ' O ' HG23 ' B' ' 83' ' ' THR . 46.7 tp -57.6 -46.89 83.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.347 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.445 ' CE1' ' CE1' ' B' ' 76' ' ' HIS . 44.1 m80 -68.01 -46.43 71.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.376 -0.375 . . . . 0.080000000000000002 110.782 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.82 -47.02 88.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.63 -43.02 99.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.189 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.1 p -63.91 -49.09 74.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.131 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -60.54 -49.66 76.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.663 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.53 -47.85 80.88 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.49 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.16 -45.24 94.3 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.536 ' HB2' HH12 ' B' ' 19' ' ' ARG . . . -58.62 -47.85 82.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.892 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -57.97 -45.08 87.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.484 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -62.14 -43.04 99.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.165 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.69 -43.55 93.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.115 0.483 . . . . 0.0 110.022 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.633 HD12 ' HB1' ' B' ' 22' ' ' ALA . 80.8 mt -60.42 -42.27 90.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.253 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.404 HG23 ' SD ' ' B' ' 41' ' ' MET . 69.5 m -57.64 -45.37 85.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.046 0.45 . . . . 0.0 109.827 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.08 -44.18 93.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.579 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.6 mt -59.09 -44.02 91.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.48 -42.75 95.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.476 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.74 -40.97 94.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 97' ' ' LEU . 34.7 mt -62.25 -41.75 98.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.803 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.579 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 66.9 m80 -60.16 -40.58 90.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.753 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.69 -39.01 93.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.099 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.83 -40.58 96.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.206 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.12 -42.55 96.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.448 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -84.38 132.67 34.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.513 -179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -61.66 -38.52 88.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.4 mt-10 -58.45 -77.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.288 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.608 ' O ' HG23 ' C' ' 8' ' ' VAL . 57.6 mt -38.15 -38.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.467 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -63.57 -48.1 78.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 1.9399999999999999 110.398 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' C' ' 3' ' ' GLU . 81.0 tt0 -66.27 -34.55 78.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.313 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 96.5 t -63.87 -42.58 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.405 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.608 HG23 ' O ' ' C' ' 4' ' ' LEU . 96.9 t -61.44 -44.15 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.964 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.1 mtp -59.04 -41.49 87.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.58 -0.526 . . . . 0.17999999999999999 109.58 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.65 -41.94 97.52 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 11' ' ' LEU . 37.0 mt -62.9 -42.51 99.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.32 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.81 -44.53 99.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.013 -0.539 . . . . 0.29999999999999999 109.733 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.16 -44.45 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 0.02 110.015 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.48 -45.85 92.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.765 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 37.2 m -59.79 -44.02 94.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.42 99.68 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.497 ' O ' ' OG ' ' C' ' 20' ' ' SER . 92.2 mm-40 -62.91 -44.11 96.97 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.97 -49.26 78.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.523 HH12 ' HB2' ' C' ' 87' ' ' ALA . 64.0 ttm-85 -60.93 -46.4 90.83 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.8 p -56.01 -43.94 78.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.87 -41.76 98.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.711 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.641 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -56.51 -48.17 77.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.484 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.3 m-85 -59.43 -40.36 86.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.508 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.36 88.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.72 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.97 91.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.562 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.82 -45.47 93.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.466 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.88 -42.22 71.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.49 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.16 -41.19 92.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.901 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.22 95.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.786 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.86 -31.07 70.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.099 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.25 -5.15 59.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.451 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.35 17.57 73.51 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.76 81.38 2.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.717 0.294 . . . . 0.0 110.258 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.68 -33.77 76.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.547 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.47 79.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.01 0.434 . . . . 0.0 110.654 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.64 81.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.16 81.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.502 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.03 -41.84 98.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.691 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.72 99.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mtt -65.75 -42.09 91.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.403 ' SD ' HG23 ' C' ' 92' ' ' THR . 74.0 mtm -63.83 -41.04 97.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.586 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.4 -45.71 91.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.482 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -64.1 -41.41 97.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.326 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.54 -45.93 92.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.538 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -61.1 -41.91 97.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.325 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.41 -42.4 99.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.263 0.554 . . . . 0.0 110.493 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.05 98.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.3 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' C' ' 18' ' ' ALA . 95.0 mt -65.11 -40.13 94.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.706 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -60.53 -41.99 95.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.334 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.65 -40.84 92.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.026 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.93 -43.23 88.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.388 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.649 ' CD2' ' ND2' ' D' ' 312' ' ' ASN . 63.0 t-80 -62.78 -38.0 88.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.052 -0.522 . . . . 0.089999999999999997 110.347 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.29 -44.6 95.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.307 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 68.5 t -65.03 -42.88 95.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.993 0.425 . . . . 0.0 109.948 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.454 HE22 HD23 ' C' ' 74' ' ' LEU . 66.3 tp60 -59.31 -44.55 92.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.241 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.958 HG21 HG22 ' D' ' 356' ' ' THR . 15.3 m -56.4 -42.22 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.363 . . . . 0.059999999999999998 110.122 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.66 -40.19 91.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.47 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.3 -38.51 87.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.14 -37.8 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.059999999999999998 110.832 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.536 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -80.54 -16.43 54.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.445 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.21 -16.65 39.96 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 66.9 t0 -95.62 -28.45 14.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.5 90.41 3.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.37 176.76 35.77 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.46 114.38 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.65 -0.83 75.25 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -97.39 143.37 28.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.606 0.241 . . . . 0.0 110.613 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.54 140.86 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.627 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -88.21 -7.59 56.61 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.794 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.429 ' O ' HG13 ' C' ' 70' ' ' VAL . 5.5 p -106.01 123.2 60.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.789 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.559 ' O ' HG23 ' C' ' 75' ' ' VAL . 15.5 p -127.48 166.82 17.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.541 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.567 HD21 ' HG ' ' B' ' 72' ' ' LEU . 15.8 mt -61.34 -44.24 97.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.641 -177.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.539 HG13 HG21 ' C' ' 8' ' ' VAL . 64.4 t -65.7 -46.13 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 130.09 3.356 . . . . 0.0 110.683 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.454 HD23 HE22 ' C' ' 55' ' ' GLN . 83.7 mt -65.34 -41.11 94.26 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.191 -0.459 . . . . 0.11 110.975 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.559 HG23 ' O ' ' C' ' 71' ' ' SER . 54.3 t -60.38 -47.55 92.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.821 -0.627 . . . . 0.40000000000000002 110.2 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.451 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 54.0 t-80 -59.2 -46.08 89.37 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.911 -0.315 . . . . 1.02 110.294 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.96 95.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.864 0.364 . . . . 0.059999999999999998 110.436 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.65 -39.8 95.04 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0900000000000001 110.22 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.538 ' O ' HG23 ' C' ' 83' ' ' THR . 46.0 tp -57.39 -46.91 82.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.515 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.451 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 44.9 m80 -68.2 -46.28 71.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.382 -0.372 . . . . 0.080000000000000002 110.73 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.9 -46.88 88.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.821 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.71 -42.74 99.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.538 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.3 p -64.35 -48.67 74.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.188 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 73.6 m -61.06 -49.3 77.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.57 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -57.58 -48.19 80.06 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.534 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.86 -45.07 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.154 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.523 ' HB2' HH12 ' C' ' 19' ' ' ARG . . . -58.87 -47.63 84.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -58.17 -45.11 88.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.246 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.84 -43.38 98.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 110.225 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.5 -43.5 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.227 0.537 . . . . 0.0 110.059 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.641 HD12 ' HB1' ' C' ' 22' ' ' ALA . 80.0 mt -60.41 -42.2 90.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.362 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.403 HG23 ' SD ' ' C' ' 41' ' ' MET . 74.0 m -57.8 -45.24 86.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.034 0.445 . . . . 0.0 109.917 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.07 -43.94 93.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.565 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.587 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 80.6 mt -59.31 -44.03 92.6 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.33 -42.94 95.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.639 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.7 -40.67 93.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.759 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 97' ' ' LEU . 35.5 mt -62.29 -41.69 98.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.862 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.2 m80 -60.44 -40.39 90.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.711 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.93 -38.65 91.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.133 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -63.73 -40.93 97.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.321 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.07 -42.47 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.379 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -84.24 132.69 34.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.435 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.505 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.867 0.842 . . . . 0.0 108.941 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.0 t80 -139.8 143.0 36.66 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.37 38.65 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.935 -1.103 . . . . 0.0 109.555 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.21 149.18 28.46 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.3 19.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.056 -1.027 . . . . 0.0 108.391 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.69 136.62 36.97 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 122.129 0.966 . . . . 0.0 110.14 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.98 114.3 24.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 177.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.83 -4.38 19.33 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.52 141.76 85.71 Favored Pre-proline 0 N--CA 1.5 2.04 0 O-C-N 119.769 -1.832 . . . . 0.0 110.647 178.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.41 -47.71 12.65 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 124.785 3.657 . . . . 0.0 114.139 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.649 ' ND2' ' CD2' ' C' ' 52' ' ' HIS . 10.3 m120 -102.12 27.57 6.53 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 116.082 -2.247 . . . . 0.0 108.796 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.04 -126.83 29.46 Favored Glycine 0 N--CA 1.497 2.719 0 C-N-CA 117.669 -2.205 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 7.6 tp -126.84 78.8 1.83 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.976 -1.308 . . . . 0.0 109.528 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.81 173.25 10.16 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 117.855 -1.538 . . . . 0.0 112.152 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 4.8 p -23.34 -67.71 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -176.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' D' ' 316' ' ' THR . 34.3 ttt-85 -45.95 -65.54 0.65 Allowed Pre-proline 0 N--CA 1.492 1.658 0 C-N-CA 120.14 -0.624 . . . . 0.0 112.507 -177.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.64 -32.28 58.13 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 C-N-CA 121.858 1.705 . . . . 0.0 111.509 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.479 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.75 86.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 0.0 109.526 -179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.04 -39.72 72.13 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -63.98 -39.3 93.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.49 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.77 -45.3 93.31 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.56 1.172 . . . . 0.0 108.644 -177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.479 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.0 t -62.65 -42.3 95.5 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.303 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.644 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.89 -40.21 96.0 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.282 -0.886 . . . . 0.0 109.744 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.81 -39.69 79.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.477 -0.764 . . . . 0.0 109.56 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.99 91.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.634 -1.291 . . . . 0.0 109.415 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.27 -16.27 43.72 Favored 'General case' 0 N--CA 1.511 2.614 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.86 -10.6 86.03 Favored Glycine 0 N--CA 1.479 1.544 0 O-C-N 119.901 -1.75 . . . . 0.0 109.309 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.4 32.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.322 -1.693 . . . . 0.0 110.006 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.6 p -75.64 -30.04 59.35 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.35 -0.844 . . . . 0.0 112.309 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.8 158.53 10.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 119.828 -1.795 . . . . 0.0 112.868 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.587 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.23 35.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 102.805 -3.035 . . . . 0.0 102.805 171.289 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.68 136.66 60.16 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 122.209 1.004 . . . . 0.0 109.294 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -125.05 143.17 51.05 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-O 123.132 1.444 . . . . 0.0 109.944 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.2 t -108.09 130.0 61.35 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.69 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 173.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.427 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.5 m -127.53 119.57 26.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.918 -1.114 . . . . 0.0 108.917 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.54 122.6 39.27 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.582 -0.699 . . . . 0.0 109.97 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.71 38.96 24.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.943 -1.098 . . . . 0.0 112.761 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 11.02 83.46 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 120.008 -1.683 . . . . 0.0 112.515 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.85 136.28 54.54 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 69.0 m -124.79 158.49 33.22 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-O 123.794 1.759 . . . . 0.0 112.39 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.6 151.43 31.51 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 112.531 -2.122 . . . . 0.0 108.659 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.66 135.98 48.75 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.74 47.4 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.59 -1.319 . . . . 0.0 110.701 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.88 31.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.67 -1.269 . . . . 0.0 109.378 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.1 m -133.03 104.13 6.38 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 122.103 0.954 . . . . 0.0 110.173 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.22 -37.92 72.97 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.954 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -58.89 -51.32 70.53 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.593 -1.317 . . . . 0.0 113.144 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.52 70.75 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 119.505 -1.997 . . . . 0.0 109.191 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.75 -33.79 75.87 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 119.004 -1.078 . . . . 0.0 109.952 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.536 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.61 -10.44 52.09 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.593 -0.692 . . . . 0.0 109.953 -177.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 38.5 p -89.77 -7.79 53.66 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.951 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 93.8 mt -93.29 159.24 15.35 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.202 -0.936 . . . . 0.0 110.211 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.909 0 N-CA-C 106.951 -2.46 . . . . 0.0 106.951 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 87.6 mt -119.59 47.38 1.72 Allowed 'General case' 0 C--N 1.309 -1.167 0 O-C-N 120.741 -1.447 . . . . 0.0 107.438 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.958 HG22 HG21 ' C' ' 56' ' ' THR . 3.2 p -81.53 172.55 13.34 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.745 -1.182 . . . . 0.0 109.19 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.67 140.89 57.31 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.823 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.16 79.0 Favored Glycine 0 N--CA 1.5 2.951 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.335 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.44 135.85 34.09 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.775 -1.426 . . . . 0.0 110.627 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.53 123.69 48.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.15 160.09 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 C-N-CA 117.433 -1.707 . . . . 0.0 110.61 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.427 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.87 128.36 54.84 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.619 -1.301 . . . . 0.0 107.592 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.85 121.39 60.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 105.442 -2.059 . . . . 0.0 105.442 176.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.57 147.19 50.69 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.4 47.18 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.799 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.76 6.4 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.06 178.183 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.33 40.2 Favored Glycine 0 C--N 1.297 -1.624 0 C-N-CA 118.002 -2.047 . . . . 0.0 110.375 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.57 82.59 Favored 'General case' 0 C--N 1.276 -2.603 0 CA-C-N 114.437 -0.882 . . . . 0.0 112.19 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.03 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 115.912 -2.315 . . . . 0.0 108.587 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.35 -33.53 65.75 Favored 'General case' 0 N--CA 1.521 3.11 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 -174.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.45 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.65 27.42 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 119.575 -1.953 . . . . 0.0 110.982 -176.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.804 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.79 98.02 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 178.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.59 77.29 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.493 -1.683 . . . . 0.0 109.971 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.77 -42.17 88.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 122.198 0.999 . . . . 0.0 109.315 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.93 -47.94 76.63 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 122.047 0.927 . . . . 0.0 108.702 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.804 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 14.0 m-70 -69.79 -38.32 76.64 Favored 'General case' 0 C--N 1.291 -1.966 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.688 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.438 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.53 -28.66 59.16 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.431 -1.418 . . . . 0.0 110.908 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.5 71.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.17 63.35 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.23 84.33 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.534 177.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.35 -37.32 85.2 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.86 -1.15 . . . . 0.0 111.564 -177.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.8 61.62 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.155 -0.966 . . . . 0.0 110.28 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.94 -32.3 45.48 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.453 -0.78 . . . . 0.0 111.31 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.1 125.54 12.48 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.358 2.028 . . . . 0.0 112.896 178.66 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 78.7 mm-40 . . . . . 0 C--N 1.277 -2.545 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.09 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.477 ' O3 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.04 -36.05 72.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' GLU . 79.3 mm-40 -59.54 -75.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.436 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.1 mt -37.87 -38.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.76 -47.19 79.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 1.9399999999999999 110.223 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' GLU . 83.9 tt0 -67.71 -37.01 81.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.276 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.452 HG11 HD11 ' A' ' 58' ' ' LEU . 89.0 t -63.93 -42.39 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.349 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 4' ' ' LEU . 75.1 t -60.47 -44.88 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.926 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.4 mtp -59.3 -41.37 88.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.534 -0.543 . . . . 0.17999999999999999 109.534 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.6 -42.58 97.3 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.23 -43.62 97.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.252 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.09 -44.6 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 0.20000000000000001 109.817 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' HD2' ' D' ' 324' ' ' LYS . 87.5 mt -63.95 -44.44 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 0.01 110.014 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 43.8 t-20 -61.25 -46.79 88.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.768 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.45 -44.18 96.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.977 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.548 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.06 -44.1 97.81 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.445 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.7 mm-40 -62.58 -44.45 96.29 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.13 78.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.83 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -61.21 -46.49 90.24 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.4 p -56.29 -43.56 78.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.9 -41.16 97.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.702 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.601 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.5 -48.21 79.86 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.49 -41.51 90.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.606 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.5 96.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.751 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.01 88.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.719 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.83 -44.87 95.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.395 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.39 -42.16 73.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.02 -41.47 96.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.775 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.08 94.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.753 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.03 -29.56 69.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.186 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -80.79 -4.76 55.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.28 14.06 75.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.88 80.0 2.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.732 0.301 . . . . 0.0 110.287 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -64.53 -34.63 78.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.659 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.2 83.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.078 0.466 . . . . 0.0 110.754 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.51 81.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.348 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.81 -47.35 85.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.545 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -61.47 -42.1 98.26 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.57 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.1 97.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.63 -39.76 91.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.501 ' CE ' HG23 ' A' ' 92' ' ' THR . 34.7 mtp -62.19 -42.56 99.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -62.38 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.499 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.64 -42.21 98.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.259 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -60.16 -46.15 90.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.591 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -60.93 -42.09 97.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.309 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.85 -42.27 98.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.17 0.51 . . . . 0.0 110.526 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.49 98.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.17 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 48' ' ' LEU . 89.2 mt -65.63 -39.35 91.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.658 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.413 HD22 ' HA ' ' A' ' 49' ' ' ASN . 7.6 m120 -60.96 -41.97 97.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.327 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.21 -40.12 93.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.195 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.89 -44.22 81.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.534 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.32 -38.1 88.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.065 -0.516 . . . . 0.089999999999999997 110.372 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.0 -44.01 98.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.39 -43.38 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.062 0.458 . . . . 0.0 110.033 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.588 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -60.07 -43.76 95.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.588 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 19.5 m -56.78 -42.54 79.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.059999999999999998 110.048 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.71 -38.97 89.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.54 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.615 ' HB3' HD21 ' A' ' 74' ' ' LEU . 96.6 mt -62.98 -30.17 71.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.72 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.543 HD11 ' NE2' ' A' ' 55' ' ' GLN . 96.7 mt -82.31 -32.01 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.53 . . . . 0.050000000000000003 110.864 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -78.2 -14.53 59.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.59 -39.28 2.24 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 63.3 t0 -66.09 -38.35 88.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.834 0.349 . . . . 0.0 110.618 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.9 138.37 58.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.48 -177.3 28.61 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.81 107.01 1.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.687 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.93 6.09 88.71 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -118.96 103.33 9.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.657 0.265 . . . . 0.0 110.484 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -89.5 -4.22 58.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.553 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HE2' HG21 ' B' ' 73' ' ' VAL . 98.9 mttt -68.17 141.79 55.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.965 0.412 . . . . 0.0 110.835 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 71' ' ' SER . 20.2 m -93.44 -143.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.518 ' N ' HG23 ' A' ' 70' ' ' VAL . 86.6 p -130.97 164.55 25.1 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 178.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.69 -41.9 82.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.694 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.57 ' CG1' HG21 ' A' ' 8' ' ' VAL . 71.2 t -63.01 -44.76 99.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.914 0.388 . . . . 0.0 110.514 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 58' ' ' LEU . 19.4 mt -61.6 -39.7 92.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.057 0.456 . . . . 0.11 110.935 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.45 -46.84 89.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.737 -0.665 . . . . 0.38 110.185 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -58.83 -44.77 90.99 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.319 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.25 98.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.814 0.34 . . . . 0.059999999999999998 110.679 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.477 HE21 HE21 ' A' ' 55' ' ' GLN . 83.7 mt-30 -61.84 -39.18 90.95 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0900000000000001 110.195 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 83' ' ' THR . 31.3 tp -56.52 -46.61 80.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.409 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.574 ' NE2' ' O3 ' ' D' ' 200' ' ' PO3 . 72.3 m-70 -66.82 -46.5 74.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.289 -0.414 . . . . 0.080000000000000002 110.732 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.33 -45.48 94.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.721 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.05 -43.38 98.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.17 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.5 p -62.42 -45.07 94.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.085 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -61.95 -49.17 77.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -58.02 -47.64 82.47 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.52 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.45 -44.46 97.08 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.102 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.42 85.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.872 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' NE ' HD12 ' A' ' 48' ' ' LEU . 72.9 ttp85 -58.64 -45.25 89.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.69 -43.99 97.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.092 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.52 -42.5 95.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 109.849 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.601 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.3 mt -60.83 -42.75 93.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.501 HG23 ' CE ' ' A' ' 41' ' ' MET . 68.4 m -57.35 -46.08 83.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.036 0.446 . . . . 0.0 109.933 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.9 mt-10 -63.06 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.583 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.547 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.9 mt -59.78 -42.95 94.45 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.02 -42.95 95.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.5 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.13 -39.3 92.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.071 0.462 . . . . 0.0 109.787 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.09 -41.72 98.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.843 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.547 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.8 m80 -60.76 -39.15 87.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 102' ' ' LYS . 82.8 tt0 -61.9 -39.44 91.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.185 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.44 -39.38 93.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.226 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -64.48 -41.94 96.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.365 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.4 mttt -91.42 142.38 27.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.546 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.533 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.28 -35.86 72.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.545 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.6 mm-40 -59.64 -75.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.65 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.1 mt -37.76 -38.55 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.51 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.6 -47.18 79.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.881 0.372 . . . . 1.9399999999999999 110.272 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.0 tt0 -67.64 -37.07 81.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.279 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.435 HG11 HD11 ' B' ' 58' ' ' LEU . 88.2 t -63.82 -42.46 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 4' ' ' LEU . 75.6 t -60.58 -44.63 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.868 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mtp -59.39 -41.63 89.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.54 -0.541 . . . . 0.17999999999999999 109.54 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -42.65 97.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.85 -43.69 98.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.853 0.358 . . . . 0.0 110.437 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.29 -44.53 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 0.28999999999999998 109.696 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.89 -44.35 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.02 109.893 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 44.0 t-20 -61.35 -46.59 89.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.932 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -60.79 -43.83 97.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.101 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.73 97.84 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.499 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.8 mm-40 -62.86 -44.63 95.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.38 77.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.976 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.85 -46.58 90.0 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 81.1 p -55.97 -44.09 78.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -61.36 -41.57 97.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.711 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.591 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.46 -48.06 80.18 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.66 -41.51 90.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.637 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.6 96.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.778 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.19 89.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.619 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.44 -45.29 94.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.339 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.3 -41.86 72.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.14 -41.14 96.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.873 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.87 95.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.717 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.28 -29.37 69.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.068 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.95 -4.67 55.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.06 14.17 75.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.84 79.85 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.355 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.84 -34.48 78.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.608 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 -47.66 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.006 0.432 . . . . 0.0 110.848 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.62 81.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.395 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.26 86.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.578 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -61.37 -42.56 98.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 0.0 110.55 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.09 97.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.649 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 95.0 mmm -65.56 -40.19 92.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.51 ' CE ' HG23 ' B' ' 92' ' ' THR . 34.2 mtp -61.81 -42.79 99.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.548 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -62.24 -43.62 98.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.464 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.08 -42.46 99.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -60.19 -46.12 90.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.474 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.88 -41.68 96.46 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.369 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.98 -42.6 99.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.32 0.581 . . . . 0.0 110.611 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.28 98.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.171 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 48' ' ' LEU . 88.7 mt -66.1 -39.24 89.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.785 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -60.95 -41.88 97.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.361 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.34 -39.97 93.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.14 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.99 -44.49 80.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.44 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.26 -38.22 88.45 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.089999999999999997 110.222 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.7 mt -60.66 -43.95 97.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.878 0.371 . . . . 0.0 110.381 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.72 -43.24 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.068 0.461 . . . . 0.0 110.02 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.594 ' OE1' ' N ' ' B' ' 56' ' ' THR . 1.0 OUTLIER -60.3 -43.44 96.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.594 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 18.9 m -56.8 -42.93 80.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.059999999999999998 110.007 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.33 -39.0 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.916 0.389 . . . . 0.0 110.595 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.619 ' HB3' HD21 ' B' ' 74' ' ' LEU . 96.5 mt -62.94 -30.27 71.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.705 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.543 HD11 ' NE2' ' B' ' 55' ' ' GLN . 97.0 mt -82.27 -32.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.086 -0.506 . . . . 0.040000000000000001 110.721 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -78.07 -14.31 59.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.529 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.72 -39.4 2.2 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 64.1 t0 -66.04 -38.38 88.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 110.594 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.15 138.0 58.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.72 -177.29 28.31 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.39 107.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.586 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.55 6.62 88.43 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -119.52 104.32 10.21 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.658 0.266 . . . . 0.0 110.471 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . 0.433 ' HG2' ' H ' ' B' ' 68' ' ' MET . 11.9 ptt? -90.4 -4.15 57.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.637 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.29 142.3 55.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.924 0.392 . . . . 0.0 110.747 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.477 HG23 ' N ' ' B' ' 71' ' ' SER . 21.8 m -92.15 -144.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.758 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.477 ' N ' HG23 ' B' ' 70' ' ' VAL . 93.5 p -130.3 165.95 21.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.53 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.31 -41.68 93.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.545 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.57 ' CG1' HG21 ' B' ' 8' ' ' VAL . 73.3 t -62.04 -44.41 98.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.6 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' B' ' 58' ' ' LEU . 19.5 mt -61.6 -39.27 90.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.167 0.508 . . . . 0.11 111.04 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.8 -46.35 90.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.802 -0.636 . . . . 0.38 110.256 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -59.39 -44.79 92.74 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.836 -0.346 . . . . 1.1100000000000001 110.309 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.22 98.89 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.917 0.389 . . . . 0.059999999999999998 110.417 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.479 HE21 HE21 ' B' ' 55' ' ' GLN . 83.5 mt-30 -62.01 -38.93 90.48 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0900000000000001 110.264 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 83' ' ' THR . 28.7 tp -56.71 -46.42 81.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.44 ' O ' ' OG1' ' B' ' 83' ' ' THR . 71.4 m-70 -66.94 -46.54 74.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.387 -0.37 . . . . 0.080000000000000002 110.725 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -60.83 -43.03 98.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.372 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.7 p -62.88 -45.1 94.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.12 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -61.89 -49.09 77.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.2 ttp -57.84 -47.85 81.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.517 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.28 -44.53 97.08 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.185 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.76 -47.47 84.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.916 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -58.63 -45.65 88.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.279 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.404 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.7 mt-10 -61.25 -44.24 97.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.128 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.15 -42.67 96.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.042 0.448 . . . . 0.0 110.042 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.591 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.1 mt -60.84 -42.7 93.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.196 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.51 HG23 ' CE ' ' B' ' 41' ' ' MET . 72.4 m -57.14 -46.21 82.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.126 0.489 . . . . 0.0 109.855 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.505 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.6 mt-10 -63.1 -43.12 99.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.533 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.539 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 80.3 mt -59.7 -42.92 94.08 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.21 -43.01 95.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.517 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.9 -39.23 91.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.731 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.0 mt -62.26 -41.54 98.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.799 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 68.1 m80 -60.82 -39.0 87.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.778 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' B' ' 102' ' ' LYS . 82.6 tt0 -62.16 -39.83 93.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.101 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.03 -39.3 93.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.23 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.49 -41.64 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.411 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.3 mttt -92.0 142.4 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.622 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.574 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.88 -35.84 71.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.6 mm-40 -59.85 -75.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.653 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.0 mt -37.85 -38.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.477 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.75 -47.2 79.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 1.9399999999999999 110.372 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.4 tt0 -67.45 -37.04 82.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.332 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.435 HG11 HD11 ' C' ' 58' ' ' LEU . 89.2 t -63.86 -42.32 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.385 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.653 HG23 ' O ' ' C' ' 4' ' ' LEU . 74.8 t -60.65 -44.54 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.985 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.9 mtp -59.64 -41.27 90.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.598 -0.519 . . . . 0.17999999999999999 109.598 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.7 -42.55 97.17 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' C' ' 11' ' ' LEU . 84.5 mt -63.22 -43.46 98.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.391 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.26 -44.65 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.29999999999999999 109.679 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.83 -44.29 98.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.02 110.044 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 43.4 t-20 -61.77 -46.2 90.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.837 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.94 -43.65 98.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.185 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.7 -43.41 97.87 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.481 ' O ' ' OG ' ' C' ' 20' ' ' SER . 92.7 mm-40 -63.01 -44.13 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.2 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.19 -46.38 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 79.1 p -56.09 -44.34 78.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.15 -41.41 96.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.719 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.61 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.42 -48.17 79.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.404 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.0 m-85 -59.8 -41.48 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.542 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.24 96.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.718 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.39 89.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.537 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.52 -45.13 95.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.416 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.33 -41.98 73.16 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.14 -41.09 96.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.91 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.25 94.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.764 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.15 -29.51 69.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.057 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -80.6 -4.75 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.476 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.98 14.44 75.08 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -97.15 79.98 2.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.718 0.294 . . . . 0.0 110.213 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -64.7 -34.58 78.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.508 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.52 82.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.08 0.467 . . . . 0.0 110.716 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.41 -35.53 81.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.345 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.01 -46.9 87.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.476 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -61.61 -42.61 99.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 110.552 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.23 97.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.59 -40.1 92.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.519 ' CE ' HG23 ' C' ' 92' ' ' THR . 34.7 mtp -61.9 -42.66 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.622 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -62.49 -42.88 99.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.48 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -63.89 -42.32 97.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.282 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.01 -46.15 90.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.562 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.72 -42.19 96.79 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.395 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.7 mtp -61.74 -42.43 98.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.359 0.6 . . . . 0.0 110.53 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.32 98.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.339 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.98 -39.37 90.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' C' ' 49' ' ' ASN . 7.5 m120 -61.08 -41.68 97.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.41 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.49 -40.17 92.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.074 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.446 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.7 -44.5 81.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.364 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -62.1 -38.38 88.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.032 -0.531 . . . . 0.089999999999999997 110.301 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 53' ' ' LEU . 36.5 mt -61.0 -43.59 98.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.249 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.62 -43.29 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.066 0.46 . . . . 0.0 110.013 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' C' ' 56' ' ' THR . 1.0 OUTLIER -60.49 -43.47 96.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.236 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.865 HG21 HG22 ' D' ' 356' ' ' THR . 18.0 m -56.93 -42.59 80.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.406 . . . . 0.059999999999999998 110.173 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.5 -38.84 88.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.909 0.385 . . . . 0.0 110.533 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.643 ' HB3' HD21 ' C' ' 74' ' ' LEU . 96.6 mt -63.02 -30.15 71.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.535 HD11 ' NE2' ' C' ' 55' ' ' GLN . 96.9 mt -82.43 -32.04 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.911 -0.586 . . . . 0.059999999999999998 110.834 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.4 mm-40 -78.09 -14.56 59.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.48 -39.38 2.24 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 63.4 t0 -66.07 -38.36 88.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.802 0.334 . . . . 0.0 110.511 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.9 138.1 58.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.75 -177.27 28.27 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.6 107.29 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.73 6.36 88.56 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -119.43 104.18 10.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.643 0.259 . . . . 0.0 110.526 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -90.66 -3.79 57.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.36 142.5 55.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.801 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.461 HG23 ' N ' ' C' ' 71' ' ' SER . 22.0 m -92.36 -145.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.755 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.461 ' N ' HG23 ' C' ' 70' ' ' VAL . 99.9 p -129.33 168.03 16.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.487 -178.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.5 -42.63 96.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.674 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.505 ' CG1' HG21 ' C' ' 8' ' ' VAL . 79.1 t -62.61 -44.73 99.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 130.075 3.35 . . . . 0.0 110.661 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.643 HD21 ' HB3' ' C' ' 58' ' ' LEU . 21.4 mt -63.43 -39.29 94.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.111 0.481 . . . . 0.11 111.067 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.76 -47.29 89.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.757 -0.656 . . . . 0.40000000000000002 110.213 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -59.1 -44.81 91.97 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.862 -0.335 . . . . 1.02 110.365 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.37 98.66 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.797 0.332 . . . . 0.059999999999999998 110.379 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.48 HE21 HE21 ' C' ' 55' ' ' GLN . 83.6 mt-30 -61.82 -39.16 90.81 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0900000000000001 110.265 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.499 ' O ' HG23 ' C' ' 83' ' ' THR . 29.7 tp -56.62 -46.4 80.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.496 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.44 ' O ' ' OG1' ' C' ' 83' ' ' THR . 72.0 m-70 -67.06 -46.39 74.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.391 -0.368 . . . . 0.080000000000000002 110.732 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.5 -45.34 94.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.825 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.03 -43.02 99.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.382 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.499 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.1 p -62.98 -44.82 94.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.133 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.05 -49.22 76.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.57 -48.0 80.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.546 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.4 -44.51 97.02 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.71 -47.54 84.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.923 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -58.6 -45.45 89.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.21 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.2 -44.43 97.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.96 0.41 . . . . 0.0 110.224 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.12 -42.86 96.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.157 0.503 . . . . 0.0 110.032 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.61 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.9 mt -60.54 -42.95 93.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.519 HG23 ' CE ' ' C' ' 41' ' ' MET . 71.5 m -56.98 -45.77 82.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.05 0.453 . . . . 0.0 109.963 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.63 -42.96 98.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.458 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.545 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.1 mt -59.65 -43.0 94.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.07 -42.91 94.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.546 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -62.23 -39.02 91.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.11 0.481 . . . . 0.0 109.73 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.7 mt -62.24 -41.4 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.934 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.4 m80 -61.16 -38.65 87.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.767 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.9 tt0 -62.4 -39.71 94.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.092 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.21 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.5 -41.88 96.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.377 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.2 mttt -91.8 142.38 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.53 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.876 0.846 . . . . 0.0 108.901 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.5 t80 -139.78 143.03 36.72 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.96 156.28 38.58 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.001 -1.062 . . . . 0.0 109.58 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.1 149.19 28.54 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.39 18.91 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.041 -1.037 . . . . 0.0 108.314 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.89 144.35 19.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.72 136.62 37.0 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 122.199 1.0 . . . . 0.0 110.1 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.93 114.3 24.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.85 -4.28 19.4 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.812 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.85 85.78 Favored Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 119.693 -1.879 . . . . 0.0 110.593 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.5 -47.73 12.82 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 124.737 3.625 . . . . 0.0 114.104 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -102.09 27.56 6.53 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 116.14 -2.224 . . . . 0.0 108.786 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.69 -119.82 11.74 Favored Glycine 0 N--CA 1.497 2.714 0 C-N-CA 117.683 -2.199 . . . . 0.0 109.573 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' D' ' 314' ' ' LEU . 3.1 tp -137.94 79.41 1.74 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.931 -1.334 . . . . 0.0 109.53 -177.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.416 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.4 OUTLIER -86.67 179.27 6.82 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 117.87 -1.532 . . . . 0.0 112.221 -179.089 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.444 ' H ' HG23 ' D' ' 316' ' ' THR . 15.6 p -21.99 -67.31 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 -177.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.548 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.2 ttt-85 -49.45 -65.83 0.74 Allowed Pre-proline 0 N--CA 1.493 1.685 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.544 -176.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.65 -32.25 58.03 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.776 1.651 . . . . 0.0 111.529 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.502 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.84 86.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.176 -0.953 . . . . 0.0 109.514 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.67 72.5 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.97 -39.41 94.06 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 117.982 -1.487 . . . . 0.0 109.451 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.25 93.67 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.614 1.197 . . . . 0.0 108.739 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.502 HG23 ' O ' ' D' ' 319' ' ' ALA . 60.4 t -62.73 -42.2 95.28 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.66 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.402 ' HD2' HD13 ' A' ' 13' ' ' ILE . 68.3 mttt -63.98 -40.24 95.93 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.23 -0.919 . . . . 0.0 109.716 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.528 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.66 80.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.397 -0.814 . . . . 0.0 109.552 177.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.12 -43.96 91.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.528 -1.357 . . . . 0.0 109.439 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.39 -16.18 43.9 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.58 86.11 Favored Glycine 0 N--CA 1.478 1.48 0 O-C-N 119.862 -1.773 . . . . 0.0 109.323 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.42 143.33 32.84 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.224 -1.75 . . . . 0.0 109.997 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.3 p -75.58 -30.08 59.52 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.142 -0.974 . . . . 0.0 112.358 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.73 158.56 10.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 119.832 -1.792 . . . . 0.0 112.799 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.03 130.21 35.28 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 102.846 -3.02 . . . . 0.0 102.846 171.245 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.61 136.6 60.34 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.403 0 CA-C-O 122.152 0.977 . . . . 0.0 109.302 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.4 m -124.97 143.29 50.97 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-O 123.181 1.467 . . . . 0.0 109.971 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.433 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.18 129.94 61.58 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.697 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 173.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.5 m -127.46 119.57 26.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.837 -1.165 . . . . 0.0 108.972 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.62 122.58 39.16 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.569 -0.707 . . . . 0.0 109.848 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.76 38.96 24.43 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.885 -1.134 . . . . 0.0 112.749 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.87 83.69 Favored Glycine 0 N--CA 1.501 3.02 0 O-C-N 119.874 -1.766 . . . . 0.0 112.548 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.74 136.3 54.49 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.77 158.52 33.11 Favored 'General case' 0 C--N 1.274 -2.693 0 CA-C-O 123.798 1.761 . . . . 0.0 112.436 -176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.43 31.46 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.516 -2.129 . . . . 0.0 108.555 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 135.97 48.77 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.547 -2.02 . . . . 0.0 105.547 173.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.433 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.76 47.63 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.699 -1.251 . . . . 0.0 110.718 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.52 13.03 31.37 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.666 -1.272 . . . . 0.0 109.396 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.6 t -133.13 104.21 6.39 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.177 0.989 . . . . 0.0 110.054 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.9 tp -57.28 -37.95 73.17 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.954 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -58.86 -51.36 70.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.588 -1.32 . . . . 0.0 113.08 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.34 70.34 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.606 -1.934 . . . . 0.0 109.236 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.85 -33.71 75.83 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 118.959 -1.097 . . . . 0.0 109.92 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.41 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.64 -10.5 52.78 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.656 -0.653 . . . . 0.0 109.874 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 43.1 p -89.82 -7.66 53.84 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 118.117 -1.433 . . . . 0.0 110.901 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.36 159.33 15.3 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.141 -0.974 . . . . 0.0 110.165 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.83 2.97 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.4 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.63 -1.512 . . . . 0.0 107.379 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.865 HG22 HG21 ' C' ' 56' ' ' THR . 4.3 p -81.44 172.5 13.45 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 118.749 -1.181 . . . . 0.0 109.248 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.67 140.89 57.3 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.884 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.18 78.79 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.372 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.47 135.92 34.05 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.914 -1.345 . . . . 0.0 110.56 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.52 123.75 48.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.0 m -112.25 160.06 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 C-N-CA 117.377 -1.729 . . . . 0.0 110.565 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.87 128.33 54.82 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.493 -1.38 . . . . 0.0 107.593 175.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.86 121.42 60.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.58 147.24 50.7 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.34 47.15 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 118.538 -1.265 . . . . 0.0 109.772 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.12 110.8 6.45 Favored 'General case' 0 C--N 1.287 -2.145 0 C-N-CA 118.613 -1.235 . . . . 0.0 108.061 178.203 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.33 40.11 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.02 -2.038 . . . . 0.0 110.404 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.62 82.56 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 114.452 -0.874 . . . . 0.0 112.187 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.07 36.87 3.51 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 118.925 -2.36 . . . . 0.0 108.553 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.46 -33.46 65.94 Favored 'General case' 0 N--CA 1.523 3.199 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 -174.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.454 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.67 27.09 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.607 -1.933 . . . . 0.0 110.982 -176.583 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.837 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.71 97.82 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.55 77.46 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.499 -1.68 . . . . 0.0 110.023 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.79 -42.25 89.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 CA-C-O 122.229 1.014 . . . . 0.0 109.299 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.91 -47.83 76.75 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-O 122.019 0.914 . . . . 0.0 108.752 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.837 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.8 -38.36 76.59 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.673 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.1 mt -75.64 -28.64 58.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.383 -1.448 . . . . 0.0 110.842 -174.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.48 71.3 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.452 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.3 62.85 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.528 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.25 -45.16 84.23 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.519 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.4 -37.39 85.61 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.899 -1.125 . . . . 0.0 111.506 -177.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.8 61.65 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.097 -1.002 . . . . 0.0 110.275 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.84 -32.35 46.06 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.555 -0.715 . . . . 0.0 111.327 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.11 125.52 12.43 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 124.314 2.007 . . . . 0.0 112.856 178.741 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.812 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 75.0 mm-40 . . . . . 0 C--N 1.276 -2.59 0 CA-C-N 111.144 -2.753 . . . . 0.0 110.13 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.574 ' O3 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.21 137.83 58.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 6' ' ' GLU . 96.8 mt-10 -61.28 134.17 56.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.424 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 8' ' ' VAL . 99.8 mt -37.39 -36.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.88 -46.21 82.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.893 0.378 . . . . 1.9399999999999999 110.303 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.3 tt0 -68.27 -36.24 79.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.218 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.83 -42.42 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.431 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 4' ' ' LEU . 79.2 t -61.16 -44.12 97.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.939 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -58.87 -42.29 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.427 -0.583 . . . . 0.17999999999999999 109.427 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.57 98.5 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.4 -43.09 98.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.269 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.09 -44.35 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.20000000000000001 109.762 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.7 -43.87 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.964 -0.562 . . . . 0.01 109.99 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.51 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.8 t-20 -60.83 -46.19 91.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.786 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -59.47 -44.38 93.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.967 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -62.68 -41.7 99.79 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.4 mm-40 -63.27 -43.54 97.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.13 -48.76 80.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.923 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -61.33 -46.59 89.63 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 79.6 p -55.43 -44.24 76.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.28 -41.58 98.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.705 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.13 -48.94 77.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.69 -40.06 86.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.585 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.17 94.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.736 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.44 90.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.669 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.53 -45.35 94.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.483 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.7 -42.13 74.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.9 -42.22 93.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.773 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.8 93.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.71 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.61 -30.02 69.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.178 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -83.01 -5.14 58.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.419 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.24 18.18 67.5 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -99.24 79.6 2.34 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.81 0.338 . . . . 0.0 110.267 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.02 -33.83 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.632 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.49 79.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.079 0.466 . . . . 0.0 110.778 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.59 81.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -48.31 80.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.549 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.89 -42.22 98.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.618 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.743 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.1 mtt -65.41 -42.25 92.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.516 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.85 -41.62 97.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.693 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.23 -46.72 87.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.599 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.07 -41.16 99.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.234 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -60.58 -45.63 93.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -61.0 -42.51 98.6 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.12 -43.93 98.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.164 0.507 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.19 99.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.221 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' A' ' 18' ' ' ALA . 96.5 mt -65.52 -39.82 92.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.94 -41.58 96.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.308 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.74 -40.3 91.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.231 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.51 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.62 -43.76 83.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.474 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -62.51 -38.17 88.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.089999999999999997 110.376 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.5 mt -60.78 -44.64 96.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.21 -43.23 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.026 0.441 . . . . 0.0 109.976 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' NE2' HD23 ' A' ' 74' ' ' LEU . 64.6 tp60 -59.99 -43.34 95.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.242 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 m -56.84 -42.4 79.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.059999999999999998 110.05 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.26 -40.51 94.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.451 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.532 HD22 HD22 ' A' ' 4' ' ' LEU . 95.6 mt -67.62 -39.21 84.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.751 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.23 -39.52 79.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 0.050000000000000003 110.867 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -81.1 -13.33 58.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.503 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.96 -20.59 27.91 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -94.76 -25.45 16.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.843 0.354 . . . . 0.0 110.606 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.26 89.08 5.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.466 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.34 179.26 36.1 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -69.21 118.45 12.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.837 0.351 . . . . 0.0 110.698 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.07 -0.29 83.79 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -103.46 149.43 24.84 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.679 0.276 . . . . 0.0 110.405 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -71.0 140.1 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -87.98 -9.15 54.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.949 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.429 HG11 ' HB2' ' B' ' 76' ' ' HIS . 21.8 t -106.14 125.79 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.736 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.4 p -131.48 163.81 27.15 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 178.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 72' ' ' LEU . 74.9 mt -57.0 -45.35 83.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.61 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.567 HG13 HG21 ' A' ' 8' ' ' VAL . 69.1 t -65.45 -47.14 87.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 110.52 -179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD23 ' NE2' ' A' ' 55' ' ' GLN . 83.9 mt -63.72 -41.64 98.04 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 120.994 0.426 . . . . 0.11 110.95 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 71' ' ' SER . 49.8 t -60.53 -47.77 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.79 -0.641 . . . . 0.38 110.122 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -59.43 -45.67 90.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.759 0.314 . . . . 0.0 110.328 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.3 96.11 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.477 -0.329 . . . . 0.059999999999999998 110.65 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.534 ' NE2' ' NE2' ' B' ' 80' ' ' HIS . 58.6 tt0 -63.23 -40.12 96.54 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0900000000000001 110.139 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 83' ' ' THR . 50.6 tp -57.25 -44.91 84.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.37 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.635 ' CE1' ' O2 ' ' D' ' 200' ' ' PO3 . 61.5 m170 -67.19 -47.34 71.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.295 -0.411 . . . . 0.080000000000000002 110.738 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.31 -45.77 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.752 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.83 -43.93 97.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.163 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.2 p -64.48 -48.54 74.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.099 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.07 -49.09 77.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.43 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.54 -48.31 79.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.691 0.282 . . . . 0.0 110.545 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.65 -44.98 95.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.113 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.64 84.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -58.0 -45.74 86.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.084 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.39 -43.53 98.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.041 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.55 -43.05 95.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.175 0.512 . . . . 0.0 109.832 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.625 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.2 mt -59.9 -42.09 88.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.0 m -57.87 -45.18 86.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.72 -43.97 94.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.566 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 82.6 mt -59.14 -43.68 92.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.41 -42.71 94.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.56 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -61.18 -39.11 88.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.6 -41.62 99.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.948 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.0 m80 -59.76 -40.18 87.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 102' ' ' LYS . 84.0 tt0 -62.5 -40.12 95.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.163 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.13 -39.47 94.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.21 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.03 -42.62 97.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' GLU . 88.6 tttt -90.32 131.95 35.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.593 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.54 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.33 137.58 58.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 6' ' ' GLU . 96.8 mt-10 -61.2 134.28 56.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.431 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.646 ' O ' HG23 ' B' ' 8' ' ' VAL . 99.3 mt -37.62 -36.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.489 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.09 -46.07 82.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 1.9399999999999999 110.383 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.2 tt0 -68.09 -36.06 79.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.238 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.08 -42.59 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.321 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 4' ' ' LEU . 81.2 t -61.14 -44.1 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.896 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.8 -42.27 88.71 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.482 -0.562 . . . . 0.17999999999999999 109.482 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.42 -41.36 98.08 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.38 -43.13 98.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 110.375 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.459 HG12 ' HD1' ' B' ' 80' ' ' HIS . 97.1 mt -63.15 -44.33 99.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.042 -0.526 . . . . 0.28999999999999998 109.641 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.55 -44.21 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.916 -0.584 . . . . 0.02 109.916 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.523 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.6 t-20 -60.82 -46.06 92.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.96 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -59.11 -44.43 91.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.091 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.66 99.84 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.496 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.3 mm-40 -63.0 -43.66 98.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.432 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -59.02 -48.86 80.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.951 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -61.23 -46.55 89.97 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 79.5 p -55.63 -44.04 76.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.2 -41.74 98.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.733 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.622 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.08 -48.69 77.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.91 -40.1 87.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.663 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.12 93.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.675 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.99 90.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.641 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.84 -45.42 93.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.351 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.87 -41.56 74.57 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.44 -41.89 94.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.901 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.7 94.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.721 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.66 -30.34 69.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.081 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -82.92 -4.82 58.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.449 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.96 18.02 68.55 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -99.04 79.78 2.39 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.804 0.335 . . . . 0.0 110.365 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.32 -33.87 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.598 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.45 79.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.031 0.443 . . . . 0.0 110.781 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.34 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.378 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.17 80.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.579 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.74 -42.42 98.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.572 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.41 98.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.689 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 62.6 mtt -65.39 -42.36 92.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.61 -41.93 98.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -62.19 -46.6 88.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.436 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.05 -41.15 99.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.299 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.2 m -60.66 -45.59 93.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.473 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -61.22 -42.28 98.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.282 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 54.1 ttp -60.98 -44.2 97.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.346 0.593 . . . . 0.0 110.665 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.11 98.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.171 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' B' ' 18' ' ' ALA . 95.8 mt -65.76 -39.51 91.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.726 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.04 -41.83 97.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.386 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.59 -40.59 92.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.103 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.523 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.2 -44.33 84.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.49 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -61.96 -38.15 87.42 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.089999999999999997 110.332 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.94 -44.43 97.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.341 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.52 -43.05 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.987 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.48 ' NE2' HD23 ' B' ' 74' ' ' LEU . 63.9 tp60 -60.06 -43.03 95.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.265 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.4 m -56.97 -42.63 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.059999999999999998 109.994 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.06 -40.47 93.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.942 0.401 . . . . 0.0 110.548 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.532 HD22 HD22 ' B' ' 4' ' ' LEU . 95.3 mt -67.95 -38.71 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.66 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.75 -39.63 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.142 -0.481 . . . . 0.040000000000000001 110.779 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -80.98 -13.58 58.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.544 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.31 -20.96 28.49 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -94.82 -25.33 16.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.524 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.4 88.98 5.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.394 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.4 179.09 35.94 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -69.08 118.62 12.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.62 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.79 0.26 84.29 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.91 149.26 25.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.66 0.267 . . . . 0.0 110.447 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -71.07 140.61 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -88.55 -8.45 54.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' C' ' 76' ' ' HIS . 17.6 t -107.37 125.47 63.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.836 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.536 ' O ' HG23 ' B' ' 75' ' ' VAL . 99.2 p -130.9 165.72 22.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.57 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.49 -45.52 91.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.517 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.553 HG13 HG21 ' B' ' 8' ' ' VAL . 69.8 t -64.12 -46.24 94.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.608 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.48 HD23 ' NE2' ' B' ' 55' ' ' GLN . 83.1 mt -64.37 -41.43 96.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.11 110.978 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 71' ' ' SER . 50.8 t -60.58 -47.2 93.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.79 -0.641 . . . . 0.38 110.3 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.598 ' NE2' ' CE1' ' B' ' 80' ' ' HIS . 11.8 t-160 -59.25 -46.65 87.94 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.849 -0.341 . . . . 1.1100000000000001 110.297 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.61 97.41 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.913 0.387 . . . . 0.059999999999999998 110.479 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.541 ' NE2' ' NE2' ' C' ' 80' ' ' HIS . 58.5 tt0 -62.66 -41.0 98.83 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.072 -0.513 . . . . 1.0900000000000001 110.239 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 83' ' ' THR . 51.1 tp -56.83 -44.85 82.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.417 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.598 ' CE1' ' NE2' ' B' ' 76' ' ' HIS . 59.7 m170 -67.1 -47.26 71.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.375 -0.375 . . . . 0.080000000000000002 110.751 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.36 -45.91 92.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -62.72 -43.64 98.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.189 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.468 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.7 p -64.81 -48.33 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.151 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.02 -49.16 77.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -57.72 -48.27 80.06 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.376 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.68 -44.97 95.94 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.088 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.71 84.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.885 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.05 -45.56 86.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.272 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.47 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.143 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.85 -42.57 94.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 0.0 109.96 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.622 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.0 mt -60.3 -42.38 90.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.204 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.7 m -57.52 -44.89 85.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.091 0.472 . . . . 0.0 109.915 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.98 -43.81 94.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.474 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 83.1 mt -59.33 -43.62 92.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.45 -42.93 95.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.574 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -60.46 -39.83 89.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.721 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 97' ' ' LEU . 84.4 mt -62.25 -42.3 99.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.842 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.0 m80 -59.06 -40.06 83.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 102' ' ' LYS . 83.6 tt0 -62.72 -39.99 95.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.048 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.33 -39.24 93.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.99 -42.67 97.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.384 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' B' ' 99' ' ' GLU . 88.6 tttt -90.63 131.39 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.62 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.22 137.69 58.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.607 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.8 mt-10 -61.36 134.45 56.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.401 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.658 ' O ' HG23 ' C' ' 8' ' ' VAL . 99.5 mt -37.7 -36.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.403 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.02 -46.14 82.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.347 . . . . 1.9399999999999999 110.373 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' C' ' 3' ' ' GLU . 81.6 tt0 -68.31 -36.06 78.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.318 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 70.7 t -63.83 -42.65 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.346 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.658 HG23 ' O ' ' C' ' 4' ' ' LEU . 80.5 t -61.05 -44.24 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.016 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.74 -42.23 88.33 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.17999999999999999 109.587 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.57 98.4 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.3 -43.27 98.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.957 0.408 . . . . 0.0 110.457 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.45 HG12 ' HD1' ' C' ' 80' ' ' HIS . 97.7 mt -62.9 -44.59 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.558 . . . . 0.29999999999999999 109.677 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.25 -43.92 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.02 110.064 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.4 t-20 -61.03 -46.09 92.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.796 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.34 -43.98 92.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.18 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.81 99.62 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.485 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.3 mm-40 -63.11 -43.28 98.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.433 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.39 -49.38 78.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.786 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -60.45 -47.19 87.2 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 80.8 p -54.85 -44.47 73.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.06 -41.86 98.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.701 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.644 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.05 -48.83 77.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -59.64 -40.41 87.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.532 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.98 93.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.699 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.5 90.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.566 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.45 -45.7 93.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.411 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.47 -41.96 73.69 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.14 -41.89 93.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.969 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.5 94.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.788 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.86 -29.88 69.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.13 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -83.25 -4.92 58.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.474 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.25 18.1 67.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -99.37 79.51 2.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.75 0.31 . . . . 0.0 110.284 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.02 -34.17 77.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.558 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.39 80.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 0.0 110.685 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.7 -35.2 80.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.417 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.73 -48.31 79.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.467 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.67 -42.75 99.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.61 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.29 99.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.742 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.5 mtt -65.68 -42.16 91.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.06 -41.27 97.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.668 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.64 -46.98 85.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.428 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.55 -41.68 99.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.303 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 66.6 m -60.15 -45.76 91.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.469 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -61.03 -42.42 98.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.369 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 54.3 ttp -61.06 -43.93 98.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.88 98.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' C' ' 18' ' ' ALA . 96.9 mt -65.96 -39.56 90.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.729 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.14 -41.91 97.59 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.319 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.58 -40.36 92.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.029 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.496 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.43 -44.02 84.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.447 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.553 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 85.3 t60 -62.31 -38.04 87.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.089999999999999997 110.322 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.11 -44.19 97.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.311 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.56 -42.92 94.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.023 0.44 . . . . 0.0 109.959 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.476 ' NE2' HD23 ' C' ' 74' ' ' LEU . 63.5 tp60 -60.07 -43.68 95.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.257 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.898 HG21 HG22 ' D' ' 356' ' ' THR . 15.5 m -56.56 -42.81 79.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.059999999999999998 110.113 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.99 -40.49 93.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.468 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.518 HD22 HD22 ' C' ' 4' ' ' LEU . 95.3 mt -67.56 -38.94 84.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.8 -39.48 77.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.059999999999999998 110.84 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.596 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 79.3 mm-40 -81.08 -13.26 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.97 -20.38 28.5 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -95.09 -25.41 16.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.511 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.45 89.1 5.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.435 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.49 179.36 35.95 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -69.42 118.84 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.819 0.342 . . . . 0.0 110.583 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.55 0.21 83.32 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.75 149.38 25.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.65 0.262 . . . . 0.0 110.543 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 67.1 mtt -71.18 140.9 50.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.549 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -88.88 -8.54 54.08 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 18.2 t -106.93 124.94 62.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.774 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.567 ' O ' HG23 ' C' ' 75' ' ' VAL . 97.6 p -129.58 167.96 17.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.496 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' C' ' 72' ' ' LEU . 41.5 mt -61.18 -44.57 97.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.685 -177.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.574 HG13 HG21 ' C' ' 8' ' ' VAL . 74.5 t -65.47 -46.77 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 130.179 3.392 . . . . 0.0 110.604 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.476 HD23 ' NE2' ' C' ' 55' ' ' GLN . 78.4 mt -66.52 -40.93 89.42 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.207 -0.451 . . . . 0.11 110.924 178.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.567 HG23 ' O ' ' C' ' 71' ' ' SER . 51.6 t -61.07 -47.95 91.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.792 -0.64 . . . . 0.40000000000000002 110.147 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.595 ' NE2' ' CE1' ' C' ' 80' ' ' HIS . 11.8 t-160 -59.1 -46.48 88.19 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.891 -0.324 . . . . 1.02 110.274 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.25 96.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.908 0.385 . . . . 0.059999999999999998 110.477 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.576 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 58.5 tt0 -62.92 -40.7 98.4 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0900000000000001 110.232 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.479 ' O ' HG23 ' C' ' 83' ' ' THR . 50.1 tp -56.96 -45.02 83.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.444 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.595 ' CE1' ' NE2' ' C' ' 76' ' ' HIS . 58.7 m170 -67.05 -47.08 72.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.323 -0.399 . . . . 0.080000000000000002 110.69 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.67 -45.8 92.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.8 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -62.67 -43.49 98.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.393 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.479 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.5 p -65.01 -48.43 73.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.167 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -61.85 -49.38 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.603 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.46 -48.39 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.484 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.54 -44.96 96.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.2 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.11 -47.95 83.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.97 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -57.69 -45.83 85.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.218 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -61.06 -43.71 98.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.912 0.387 . . . . 0.0 110.153 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.61 -42.89 95.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.084 0.469 . . . . 0.0 109.996 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.644 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.1 mt -59.91 -42.26 88.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.347 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 78.4 m -57.64 -45.08 85.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.107 0.479 . . . . 0.0 110.027 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.8 -43.71 95.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.459 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 82.2 mt -59.52 -43.67 93.37 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.17 -43.03 95.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.551 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -60.52 -39.85 89.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.721 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' C' ' 97' ' ' LEU . 84.2 mt -62.01 -42.23 98.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.91 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 69.9 m80 -59.19 -40.09 84.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.707 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.3 tt0 -62.77 -39.83 95.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.116 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.33 -39.14 93.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.187 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.39 -42.66 96.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' C' ' 99' ' ' GLU . 88.6 tttt -90.58 131.35 36.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.498 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.533 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.531 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.856 0.836 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 143.02 36.72 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.02 156.34 38.61 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.014 -1.054 . . . . 0.0 109.501 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.22 28.51 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.92 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.009 -1.057 . . . . 0.0 108.379 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.3 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.67 136.57 37.0 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 122.183 0.992 . . . . 0.0 110.133 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.96 114.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -107.0 -4.21 19.26 Favored 'General case' 0 C--N 1.265 -3.079 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.82 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.59 141.84 85.63 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 119.739 -1.85 . . . . 0.0 110.59 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -45.54 -47.64 13.02 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 124.771 3.648 . . . . 0.0 114.131 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.553 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 98.3 m-20 -102.11 27.5 6.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 116.066 -2.254 . . . . 0.0 108.702 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.0 -130.17 32.85 Favored Glycine 0 N--CA 1.497 2.731 0 C-N-CA 117.702 -2.19 . . . . 0.0 109.599 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.765 HD11 HD23 ' D' ' 384' ' ' LEU . 3.9 tp -122.87 76.03 1.33 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.954 -1.321 . . . . 0.0 109.495 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -81.87 175.82 10.09 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 117.957 -1.497 . . . . 0.0 112.128 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.491 HG23 ' O3 ' ' D' ' 200' ' ' PO3 . 47.9 p -24.24 -70.68 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.255 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -176.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.439 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 8.1 ttt-85 -44.84 -64.81 0.75 Allowed Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.525 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.69 -32.06 57.99 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.031 1.821 . . . . 0.0 111.466 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.449 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.06 -38.83 86.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.223 -0.923 . . . . 0.0 109.489 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.7 72.28 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.89 -39.43 94.17 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.031 -1.468 . . . . 0.0 109.496 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.7 -45.3 93.4 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.583 1.182 . . . . 0.0 108.681 -177.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.449 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.9 t -62.72 -42.19 95.23 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.267 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.639 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -63.89 -40.32 96.24 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.327 -0.858 . . . . 0.0 109.762 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.528 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.74 -39.76 80.18 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.503 -0.748 . . . . 0.0 109.525 177.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.02 91.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.637 -1.29 . . . . 0.0 109.455 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.32 -16.08 42.27 Favored 'General case' 0 N--CA 1.511 2.587 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.01 -10.51 86.22 Favored Glycine 0 N--CA 1.478 1.439 0 O-C-N 119.896 -1.753 . . . . 0.0 109.351 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.49 143.3 32.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.258 -1.731 . . . . 0.0 110.045 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.57 -30.09 59.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.249 -0.907 . . . . 0.0 112.32 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.55 10.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 119.826 -1.796 . . . . 0.0 112.802 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.36 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 171.248 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.2 mt -126.67 136.61 60.3 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.486 0 CA-C-O 122.211 1.005 . . . . 0.0 109.334 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.96 143.2 51.01 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-O 123.097 1.427 . . . . 0.0 109.912 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' D' ' 344' ' ' ALA . 84.9 t -108.18 129.91 61.64 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.721 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 173.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.4 119.57 26.48 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.791 -1.193 . . . . 0.0 108.956 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.6 39.25 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.58 -0.7 . . . . 0.0 109.917 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.97 24.32 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.877 -1.139 . . . . 0.0 112.767 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.7 10.98 83.54 Favored Glycine 0 N--CA 1.501 2.976 0 O-C-N 119.921 -1.737 . . . . 0.0 112.5 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 177.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.77 158.54 33.06 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-O 123.791 1.758 . . . . 0.0 112.453 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.37 31.41 Favored 'General case' 0 C--N 1.278 -2.534 0 CA-C-N 112.515 -2.13 . . . . 0.0 108.575 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 136.05 48.83 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.06 -6.69 47.27 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.751 -1.218 . . . . 0.0 110.755 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.58 13.09 31.3 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.664 -1.273 . . . . 0.0 109.384 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 69.0 m -133.09 104.23 6.42 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 122.206 1.003 . . . . 0.0 110.12 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.28 -37.96 73.19 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.902 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -58.81 -51.47 69.88 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.554 -1.341 . . . . 0.0 113.062 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.43 70.6 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.597 -1.939 . . . . 0.0 109.206 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.75 -33.77 75.83 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.947 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.596 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 69.2 tp60 -67.76 -10.34 51.83 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.622 -0.674 . . . . 0.0 109.95 -177.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.2 p -89.81 -7.76 53.63 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 118.129 -1.428 . . . . 0.0 110.884 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.37 159.32 15.31 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.182 -0.949 . . . . 0.0 110.153 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.64 104.84 2.96 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.4 mt -119.56 47.39 1.72 Allowed 'General case' 0 C--N 1.309 -1.166 0 O-C-N 120.64 -1.506 . . . . 0.0 107.417 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.898 HG22 HG21 ' C' ' 56' ' ' THR . 5.0 p -81.46 172.51 13.43 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.211 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.67 140.87 57.31 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.847 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.48 -3.19 78.78 Favored Glycine 0 N--CA 1.501 2.988 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.328 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.47 135.87 34.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.896 -1.355 . . . . 0.0 110.625 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.7 t -96.47 123.71 48.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.23 160.08 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.388 -1.725 . . . . 0.0 110.606 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.2 m -108.92 128.29 54.8 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.487 -1.383 . . . . 0.0 107.597 175.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.74 121.44 60.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 176.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.29 50.72 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.596 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.44 47.16 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 118.526 -1.27 . . . . 0.0 109.786 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.84 6.45 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 118.529 -1.269 . . . . 0.0 108.049 178.204 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.16 -170.4 40.13 Favored Glycine 0 C--N 1.296 -1.676 0 C-N-CA 118.015 -2.041 . . . . 0.0 110.327 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.34 -40.52 82.39 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-N 114.351 -0.924 . . . . 0.0 112.257 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.08 36.76 3.56 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 115.877 -2.329 . . . . 0.0 108.572 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.56 65.73 Favored 'General case' 0 N--CA 1.522 3.139 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.452 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.96 -45.62 26.92 Favored 'General case' 0 N--CA 1.51 2.54 0 O-C-N 119.566 -1.959 . . . . 0.0 110.923 -176.514 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.797 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.7 97.73 Favored 'General case' 0 C--N 1.283 -2.297 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.44 77.85 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 117.486 -1.686 . . . . 0.0 110.04 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.0 t -66.9 -42.14 88.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-O 122.241 1.019 . . . . 0.0 109.282 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.86 -47.96 76.39 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 122.112 0.958 . . . . 0.0 108.751 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.797 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.7 -38.37 76.93 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.727 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.44 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.2 mt -75.65 -28.57 58.81 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.345 -1.472 . . . . 0.0 110.9 -174.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.46 70.95 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.93 -49.26 62.89 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.528 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.3 -45.14 84.47 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.484 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.48 -37.25 85.22 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.866 -1.146 . . . . 0.0 111.53 -177.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.88 61.59 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.056 -1.027 . . . . 0.0 110.242 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.77 -32.28 46.49 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.49 -0.756 . . . . 0.0 111.422 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.765 HD23 HD11 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -50.16 125.53 12.53 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.364 2.031 . . . . 0.0 112.846 178.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.82 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.9 mm-40 . . . . . 0 C--N 1.278 -2.54 0 CA-C-N 111.121 -2.763 . . . . 0.0 110.156 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.635 ' O2 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.72 -39.07 87.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.528 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.2 mt-10 -61.03 -72.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.462 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.4 mt -38.63 -38.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.452 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -63.68 -49.01 74.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.864 0.364 . . . . 1.9399999999999999 110.229 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 3' ' ' GLU . 79.4 mm-40 -67.0 -37.36 84.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 58' ' ' LEU . 71.9 t -64.29 -42.32 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.349 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 4' ' ' LEU . 54.1 t -60.18 -46.18 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.937 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -59.47 -41.07 88.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.487 -0.56 . . . . 0.17999999999999999 109.487 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.74 -42.57 97.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.69 -43.35 99.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.199 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.93 -44.22 99.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 0.20000000000000001 109.803 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.428 HD13 ' HD2' ' D' ' 324' ' ' LYS . 88.5 mt -64.07 -44.25 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.926 -0.579 . . . . 0.01 109.968 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.511 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 1.9 t30 -61.35 -47.21 86.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.777 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -59.61 -44.04 93.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.997 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.576 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.44 -42.89 98.91 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.04 -42.44 99.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -49.09 78.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.846 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.43 -46.55 89.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.511 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 65.0 m -54.88 -44.12 73.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.06 -42.53 99.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.703 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.687 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.73 -49.92 75.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -59.47 -42.83 92.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.62 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.15 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.716 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.92 85.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.696 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.31 -44.76 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.429 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -55.89 -41.87 75.13 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.44 -40.88 96.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.827 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.55 95.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.774 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.9 -29.07 69.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.093 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.28 -4.81 54.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.47 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.7 14.04 71.26 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.7 79.85 2.74 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 110.294 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -64.71 -34.94 79.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.703 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.12 80.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.083 0.468 . . . . 0.0 110.735 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.47 80.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.321 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.84 81.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.557 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.24 -42.38 99.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.629 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.43 99.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.793 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -65.34 -40.17 93.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.479 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.402 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 91.2 mmm -64.1 -40.6 96.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.91 -43.82 98.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 110.547 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.44 -41.57 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.202 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -60.58 -45.79 92.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.629 ' NH2' HH12 ' A' ' 88' ' ' ARG . 63.1 ttm-85 -60.03 -42.68 94.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.336 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.5 ttp -60.38 -43.04 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.176 0.513 . . . . 0.0 110.633 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.96 98.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.218 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 48' ' ' LEU . 91.8 mt -65.75 -39.54 91.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.694 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' A' ' 49' ' ' ASN . 7.8 m120 -61.47 -41.88 97.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.288 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.56 -39.93 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.199 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.78 -44.11 78.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.402 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.98 -39.28 89.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.089999999999999997 110.399 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.66 -44.2 96.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.6 t -64.31 -43.41 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.053 0.454 . . . . 0.0 110.082 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -59.7 -43.38 94.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.235 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -55.06 -44.59 74.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.047 0.451 . . . . 0.059999999999999998 110.086 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.95 -41.43 96.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.537 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.503 HD11 HG11 ' A' ' 7' ' ' VAL . 84.6 mt -66.85 -38.7 86.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.659 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.08 -40.43 87.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.52 . . . . 0.050000000000000003 110.847 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -71.59 -30.95 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.444 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.71 -13.76 71.88 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 64' ' ' GLY . 67.7 t0 -106.44 -33.42 7.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.609 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ASP . . . -39.16 94.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -73.21 131.54 15.2 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' A' ' 67' ' ' LYS . 80.3 tt0 -69.82 119.03 13.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.682 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.91 -8.99 1.58 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 65' ' ' GLU . 58.7 mttp -105.48 -164.94 1.07 Allowed 'General case' 0 C--N 1.333 -0.118 0 O-C-N 122.731 -0.276 . . . . 0.0 110.438 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtm -59.83 143.53 50.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.613 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.539 ' NZ ' HD11 ' B' ' 12' ' ' ILE . 53.4 mtmt -60.2 -88.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 71' ' ' SER . 33.7 m -94.29 -142.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.707 -179.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 75' ' ' VAL . 68.2 p -134.62 168.48 18.91 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' N ' HD11 ' B' ' 72' ' ' LEU . 7.8 tt -57.28 -44.43 83.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.63 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.598 ' CG1' HG21 ' A' ' 8' ' ' VAL . 56.1 t -62.77 -46.94 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.9 0.381 . . . . 0.0 110.577 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 74' ' ' LEU . 93.9 mt -62.13 -38.81 90.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.016 0.436 . . . . 0.11 110.891 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 71' ' ' SER . 53.2 t -58.01 -46.17 87.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.762 -0.654 . . . . 0.38 110.163 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -58.25 -43.98 88.13 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.348 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.6 98.09 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.794 0.331 . . . . 0.059999999999999998 110.657 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.568 ' OE1' ' CD2' ' B' ' 76' ' ' HIS . 56.9 tt0 -60.67 -39.58 88.91 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.195 -0.457 . . . . 1.0900000000000001 110.187 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 83' ' ' THR . 41.9 tp -55.23 -45.8 75.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.462 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.644 ' HE2' ' P ' ' D' ' 200' ' ' PO3 . 69.7 m-70 -66.46 -46.03 77.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.239 -0.437 . . . . 0.080000000000000002 110.739 179.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.42 -46.14 91.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.815 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.12 -43.83 98.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.212 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 79' ' ' LEU . 23.4 p -61.48 -44.8 96.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.102 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.41 -49.57 74.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.495 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.0 ttp -57.34 -49.0 77.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.521 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.46 -44.94 95.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.146 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.17 85.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.846 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.629 HH12 ' NH2' ' A' ' 45' ' ' ARG . 71.5 ttp85 -58.38 -45.96 87.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.183 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -61.42 -43.92 98.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.08 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.73 -41.95 97.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.12 0.485 . . . . 0.0 109.843 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.687 HD12 ' HB1' ' A' ' 22' ' ' ALA . 72.0 mt -59.21 -41.01 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.251 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.402 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.2 m -56.89 -45.18 82.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.22 -43.85 96.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.568 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 94' ' ' LEU . 86.7 mt -59.46 -42.98 93.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.71 -42.69 95.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.5 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.27 -39.32 92.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 97' ' ' LEU . 84.3 mt -62.86 -41.32 99.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.834 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -59.78 -40.56 88.7 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.98 -39.29 89.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.152 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.31 -35.91 82.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.269 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt -81.07 -2.71 49.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.449 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 56.58 23.03 7.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.554 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.527 179.844 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.83 -39.01 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.629 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 4' ' ' LEU . 97.4 mt-10 -61.06 -72.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.409 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.6 mt -38.69 -37.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -63.88 -49.0 74.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 1.9399999999999999 110.337 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' B' ' 3' ' ' GLU . 79.6 mm-40 -66.83 -37.46 84.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.215 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.513 HG11 HD11 ' B' ' 58' ' ' LEU . 73.2 t -64.24 -42.57 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 4' ' ' LEU . 53.5 t -59.99 -45.95 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.878 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.79 -40.65 89.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.565 -0.531 . . . . 0.17999999999999999 109.565 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.22 -42.64 96.22 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.54 -43.29 99.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.788 0.327 . . . . 0.0 110.376 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.539 HD11 ' NZ ' ' A' ' 69' ' ' LYS . 90.9 mt -63.22 -44.35 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.28999999999999998 109.696 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.77 -44.31 98.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 0.02 109.893 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 1.9 t30 -61.53 -46.72 88.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.858 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.3 t -59.97 -43.99 94.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.082 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.56 -42.51 98.84 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.27 -42.53 99.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.9 79.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.921 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.66 -46.39 90.5 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.4 m -54.86 -43.83 73.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.41 -42.67 98.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.691 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.669 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -59.75 -42.76 93.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.692 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.96 91.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.702 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.67 86.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.589 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.2 -45.13 95.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.328 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -55.86 -41.63 74.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.76 -40.95 96.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.882 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.74 95.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.75 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.75 -29.32 70.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.099 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.28 -4.55 53.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.401 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.64 13.62 72.41 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -97.26 80.01 2.87 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.784 0.326 . . . . 0.0 110.358 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -65.03 -34.88 79.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.645 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.45 79.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.052 0.453 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.14 79.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.415 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.96 80.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.512 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.11 -42.58 99.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.81 0.338 . . . . 0.0 110.587 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.81 99.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.1 -40.71 94.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.493 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.402 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 91.2 mmm -63.41 -40.77 98.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.88 -43.84 98.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.16 -41.75 99.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.306 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -60.56 -45.9 92.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.477 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.617 ' NH2' HH12 ' B' ' 88' ' ' ARG . 63.0 ttm-85 -59.81 -43.01 94.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.282 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 51.8 ttp -60.06 -43.18 95.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.249 0.547 . . . . 0.0 110.669 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.77 98.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.192 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 48' ' ' LEU . 90.9 mt -66.05 -39.79 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.714 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.9 -42.16 97.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.341 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.61 -39.97 94.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.116 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.505 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.49 -44.25 78.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.478 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -61.0 -39.33 89.31 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.089999999999999997 110.268 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 53' ' ' LEU . 44.0 mt -60.56 -44.61 95.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.96 -43.64 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.999 0.428 . . . . 0.0 109.945 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -59.58 -43.3 93.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.264 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -55.29 -44.69 75.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.059999999999999998 109.932 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.78 -41.41 95.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.917 0.389 . . . . 0.0 110.513 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.513 HD11 HG11 ' B' ' 7' ' ' VAL . 84.9 mt -66.97 -38.26 85.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.4 -40.34 86.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.085 -0.507 . . . . 0.040000000000000001 110.692 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.82 -30.77 65.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.81 -13.62 71.93 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' B' ' 64' ' ' GLY . 67.7 t0 -106.81 -33.07 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.619 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' B' ' 62' ' ' ASP . . . -39.63 94.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.452 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . -73.17 131.88 15.82 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' B' ' 67' ' ' LYS . 80.7 tt0 -70.08 119.33 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.586 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.8 -8.87 1.57 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' B' ' 65' ' ' GLU . 58.4 mttp -105.63 -164.86 1.06 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.711 0.291 . . . . 0.0 110.428 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.6 mtm -60.02 143.61 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.613 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.557 ' NZ ' HD11 ' C' ' 12' ' ' ILE . 53.1 mtmt -60.27 -88.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -92.82 -143.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.577 ' O ' HG23 ' B' ' 75' ' ' VAL . 86.5 p -134.57 169.78 16.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.481 -178.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.401 HD11 ' N ' ' A' ' 72' ' ' LEU . 7.6 tt -59.74 -43.94 94.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.574 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.585 ' CG1' HG21 ' B' ' 8' ' ' VAL . 53.0 t -62.13 -46.82 95.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.575 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.99 -38.36 88.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.11 110.957 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 71' ' ' SER . 53.8 t -58.19 -46.22 88.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.825 -0.625 . . . . 0.38 110.293 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.568 ' CD2' ' OE1' ' A' ' 78' ' ' GLN . 59.4 t-80 -58.55 -43.67 89.38 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.809 -0.356 . . . . 1.1100000000000001 110.251 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.21 97.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.847 0.356 . . . . 0.059999999999999998 110.404 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.59 ' OE1' ' CD2' ' C' ' 76' ' ' HIS . 57.2 tt0 -61.11 -39.36 89.71 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.0900000000000001 110.229 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 83' ' ' THR . 40.5 tp -55.68 -45.51 77.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.401 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' B' ' 83' ' ' THR . 69.5 m-70 -66.62 -45.66 78.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.366 -0.379 . . . . 0.080000000000000002 110.739 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.69 -46.53 89.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -60.46 -44.1 96.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.245 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.6 p -61.41 -44.68 96.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.1 t -62.49 -49.27 76.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.599 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 64.9 ttp -57.62 -48.77 78.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.429 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.67 -44.65 96.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.058 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.16 -46.49 88.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.879 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.617 HH12 ' NH2' ' B' ' 45' ' ' ARG . 71.8 ttp85 -58.67 -46.25 87.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.279 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -61.21 -43.89 98.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.184 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.82 -41.82 97.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.147 0.499 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.669 HD12 ' HB1' ' B' ' 22' ' ' ALA . 70.2 mt -59.27 -40.92 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.237 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.402 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 17.7 m -56.91 -45.25 82.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.07 0.462 . . . . 0.0 109.889 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.33 -43.78 96.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.471 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.28 -43.37 92.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.41 -42.95 95.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.499 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -61.8 -40.01 93.74 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.3 -41.52 98.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.869 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -59.64 -40.44 87.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.25 -39.22 89.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.123 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.49 -35.54 81.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.189 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.7 mt -81.3 -3.19 51.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.363 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 56.88 23.18 7.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.491 179.802 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.8 -39.19 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' C' ' 4' ' ' LEU . 97.6 mt-10 -60.81 -72.11 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.422 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.652 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.4 mt -38.91 -37.82 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.414 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -63.81 -49.25 73.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.825 0.345 . . . . 1.9399999999999999 110.36 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' C' ' 3' ' ' GLU . 79.5 mm-40 -66.6 -37.5 85.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.34 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.484 HG11 HD11 ' C' ' 58' ' ' LEU . 72.3 t -64.13 -42.37 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.406 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.652 HG23 ' O ' ' C' ' 4' ' ' LEU . 54.6 t -60.23 -45.98 95.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.982 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.72 -40.92 89.59 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.59 -0.522 . . . . 0.17999999999999999 109.59 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.71 96.81 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.31 -43.46 98.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 0.0 110.361 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.557 HD11 ' NZ ' ' B' ' 69' ' ' LYS . 91.9 mt -63.08 -44.3 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.29999999999999999 109.687 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.79 -44.19 98.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.02 110.013 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.527 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 2.0 t30 -61.51 -46.79 88.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.793 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.9 t -59.91 -44.12 94.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.183 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.55 -42.41 98.89 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -63.26 -42.78 99.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.97 78.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.778 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.69 -46.61 89.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.1 m -54.54 -44.11 72.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.23 -42.73 99.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.705 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.672 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.51 -49.66 76.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.99 -42.86 95.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.551 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.17 91.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.722 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.01 86.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.632 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.91 -45.02 96.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.369 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -55.85 -41.72 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.84 -40.26 94.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.897 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.76 98.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.82 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.65 -29.09 69.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.046 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.23 -4.8 54.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.414 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.79 13.98 71.15 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -97.87 79.94 2.7 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.29 . . . . 0.0 110.286 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -64.99 -34.81 79.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.579 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.38 79.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.022 0.439 . . . . 0.0 110.665 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.73 -35.07 79.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.395 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.11 79.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.491 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.72 -43.02 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.615 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.74 99.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.711 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.8 mmm -64.97 -40.8 95.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.33 -40.97 98.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.74 -44.03 97.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.452 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.98 -41.68 99.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.306 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -60.78 -45.75 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.565 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.615 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.9 ttm-85 -60.02 -42.67 94.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.33 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 52.6 ttp -60.37 -43.08 96.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.349 0.595 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.15 98.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.349 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.69 -39.79 91.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.691 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . 0.421 HD22 ' HA ' ' C' ' 49' ' ' ASN . 7.8 m120 -61.16 -42.11 97.96 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.402 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -64.25 -40.17 95.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.001 0.429 . . . . 0.0 110.038 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.527 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.46 -44.23 79.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.421 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.91 -39.46 89.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.056 -0.52 . . . . 0.089999999999999997 110.328 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.91 -44.13 97.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.317 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.07 -43.49 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.981 0.419 . . . . 0.0 110.017 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -59.75 -43.37 94.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.856 HG21 ' CG2' ' D' ' 356' ' ' THR . 19.0 m -55.07 -44.73 75.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.408 . . . . 0.059999999999999998 110.167 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.86 -41.2 95.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.886 0.374 . . . . 0.0 110.462 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.484 HD11 HG11 ' C' ' 7' ' ' VAL . 84.7 mt -67.02 -38.57 86.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.25 -40.18 86.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.975 -0.557 . . . . 0.059999999999999998 110.829 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.2 mm-40 -71.92 -30.66 65.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.76 -13.84 71.55 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' C' ' 64' ' ' GLY . 68.0 t0 -106.81 -33.28 7.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.779 0.323 . . . . 0.0 110.443 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' C' ' 62' ' ' ASP . . . -39.45 94.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.495 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' C' ' 62' ' ' ASP . . . -73.21 132.02 16.0 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' C' ' 67' ' ' LYS . 80.6 tt0 -70.19 119.8 14.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.619 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.02 -8.32 1.32 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' C' ' 65' ' ' GLU . 58.6 mttp -105.91 -165.1 1.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.638 0.256 . . . . 0.0 110.603 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.03 143.91 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.647 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -60.56 -88.08 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 34.3 m -93.17 -144.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.583 ' O ' HG23 ' C' ' 75' ' ' VAL . 86.0 p -133.39 172.1 13.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.544 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.22 -44.42 95.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.697 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.553 ' CG1' HG21 ' C' ' 8' ' ' VAL . 51.3 t -63.03 -46.65 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 130.1 3.36 . . . . 0.0 110.593 -177.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.59 -37.72 88.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.057 0.456 . . . . 0.11 110.979 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.583 HG23 ' O ' ' C' ' 71' ' ' SER . 53.3 t -58.89 -46.63 91.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.793 -0.639 . . . . 0.40000000000000002 110.169 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.59 ' CD2' ' OE1' ' B' ' 78' ' ' GLN . 59.7 t-80 -58.57 -44.03 89.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.895 -0.322 . . . . 1.02 110.316 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.04 98.38 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.932 0.396 . . . . 0.059999999999999998 110.514 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.13 -39.81 91.43 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.159 -0.473 . . . . 1.0900000000000001 110.236 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.507 ' O ' HG23 ' C' ' 83' ' ' THR . 39.7 tp -55.18 -45.94 75.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.485 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.419 ' O ' ' OG1' ' C' ' 83' ' ' THR . 70.0 m-70 -66.36 -45.81 78.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.364 -0.38 . . . . 0.080000000000000002 110.742 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.41 -46.54 89.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.816 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -60.83 -43.29 98.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.368 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.507 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.6 p -62.13 -44.69 96.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.203 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -62.3 -49.5 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.7 ttp -57.24 -49.21 76.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.767 0.318 . . . . 0.0 110.514 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.46 -44.35 95.94 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.156 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.44 88.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.945 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.615 HH12 ' NH2' ' C' ' 45' ' ' ARG . 71.7 ttp85 -58.89 -46.12 88.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.189 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.04 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.164 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.57 -41.88 98.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.113 0.482 . . . . 0.0 110.026 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.672 HD12 ' HB1' ' C' ' 22' ' ' ALA . 72.3 mt -59.0 -41.16 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.386 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 17.0 m -56.7 -45.39 81.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.096 0.474 . . . . 0.0 109.955 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.26 -43.7 97.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.533 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.21 -43.03 92.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.79 -42.78 95.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.531 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -61.79 -40.0 93.69 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.33 -41.69 98.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.856 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -59.39 -40.73 87.49 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.05 -39.42 89.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.12 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.17 -35.57 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.256 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt -81.41 -3.28 52.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.32 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 57.13 22.96 8.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.539 179.725 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.542 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.865 0.841 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.79 143.02 36.68 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 178.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.26 38.51 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.956 -1.09 . . . . 0.0 109.545 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.3 mm-40 -152.1 149.24 28.59 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.37 18.93 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.038 -1.039 . . . . 0.0 108.416 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.86 144.27 19.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.66 136.56 37.02 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 122.153 0.978 . . . . 0.0 110.155 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.95 114.29 24.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.91 -4.28 19.33 Favored 'General case' 0 C--N 1.265 -3.1 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.81 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.87 85.89 Favored Pre-proline 0 N--CA 1.499 2.0 0 O-C-N 119.633 -1.917 . . . . 0.0 110.614 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -45.53 -47.73 12.89 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 124.776 3.651 . . . . 0.0 114.085 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -102.1 27.57 6.52 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 116.075 -2.25 . . . . 0.0 108.837 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.85 -126.35 26.62 Favored Glycine 0 N--CA 1.496 2.691 0 C-N-CA 117.653 -2.213 . . . . 0.0 109.597 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.54 77.28 1.78 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.923 -1.339 . . . . 0.0 109.511 -176.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.423 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.3 OUTLIER -85.24 176.97 8.02 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 117.852 -1.539 . . . . 0.0 112.109 -179.195 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.513 ' CG2' ' O2 ' ' D' ' 200' ' ' PO3 . 13.5 p -21.76 -72.05 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.576 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.7 ttt-85 -44.4 -66.3 0.49 Allowed Pre-proline 0 N--CA 1.493 1.714 0 C-N-CA 120.136 -0.626 . . . . 0.0 112.542 -177.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.21 -32.19 62.96 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.55 1.5 . . . . 0.0 111.522 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.511 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.81 86.73 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.201 -0.937 . . . . 0.0 109.543 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.88 -39.75 72.67 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.91 -39.45 94.19 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 118.072 -1.451 . . . . 0.0 109.488 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.66 -45.38 93.09 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 122.607 1.194 . . . . 0.0 108.687 -177.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.606 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.6 t -62.61 -42.22 95.14 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.693 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.428 ' HD2' HD13 ' A' ' 13' ' ' ILE . 35.4 mttm -63.97 -40.19 95.83 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.27 -0.894 . . . . 0.0 109.742 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.529 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.84 -39.62 79.83 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.401 -0.812 . . . . 0.0 109.541 178.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.02 91.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.611 -1.305 . . . . 0.0 109.44 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . 0.606 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.8 mttp -61.33 -16.22 43.77 Favored 'General case' 0 N--CA 1.512 2.637 0 O-C-N 121.321 -0.862 . . . . 0.0 113.278 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.54 86.14 Favored Glycine 0 N--CA 1.479 1.551 0 O-C-N 119.889 -1.757 . . . . 0.0 109.263 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.42 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.46 143.34 32.84 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.313 -1.698 . . . . 0.0 110.015 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.59 -30.12 59.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.234 -0.916 . . . . 0.0 112.365 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.67 158.49 10.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.791 -1.818 . . . . 0.0 112.821 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.2 35.35 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 102.888 -3.004 . . . . 0.0 102.888 171.2 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.7 136.64 60.21 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.424 0 CA-C-O 122.25 1.024 . . . . 0.0 109.258 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.98 143.18 51.03 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-O 123.121 1.438 . . . . 0.0 109.987 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.9 t -108.12 130.0 61.39 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 173.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.56 119.58 26.3 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.891 -1.131 . . . . 0.0 108.901 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.58 39.2 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.878 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.8 38.9 24.41 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.914 -1.116 . . . . 0.0 112.784 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 11.09 83.46 Favored Glycine 0 N--CA 1.503 3.11 0 O-C-N 119.968 -1.708 . . . . 0.0 112.526 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.92 136.23 54.59 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.77 158.51 33.15 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 123.786 1.755 . . . . 0.0 112.395 -175.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.36 31.33 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 112.457 -2.156 . . . . 0.0 108.592 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.53 136.01 49.01 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 173.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.436 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.05 -6.77 47.8 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.718 -1.239 . . . . 0.0 110.699 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.5 12.92 31.71 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.669 -1.269 . . . . 0.0 109.353 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 67.1 m -133.05 104.12 6.37 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.151 0.977 . . . . 0.0 110.179 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.29 -37.77 72.95 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.941 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -59.0 -51.34 70.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.583 -1.323 . . . . 0.0 113.03 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.38 70.4 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 119.54 -1.975 . . . . 0.0 109.196 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.82 -33.73 75.84 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.959 -1.096 . . . . 0.0 109.948 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.509 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.65 -10.52 52.99 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.649 -0.657 . . . . 0.0 109.923 -177.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.6 p -89.72 -7.71 53.93 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 118.074 -1.451 . . . . 0.0 110.947 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.42 159.34 15.29 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.268 -0.895 . . . . 0.0 110.159 -178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.9 2.97 Favored Glycine 0 N--CA 1.484 1.861 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . 0.448 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.1 mt -119.57 47.3 1.74 Allowed 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.709 -1.465 . . . . 0.0 107.413 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.856 ' CG2' HG21 ' C' ' 56' ' ' THR . 80.8 p -81.44 172.55 13.39 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 118.776 -1.169 . . . . 0.0 109.223 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.73 140.92 57.37 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.825 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.49 -3.2 78.77 Favored Glycine 0 N--CA 1.5 2.932 0 C-N-CA 120.031 -1.081 . . . . 0.0 111.368 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.44 135.91 34.07 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.849 -1.383 . . . . 0.0 110.625 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.58 123.69 48.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.11 160.05 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 C-N-CA 117.423 -1.711 . . . . 0.0 110.631 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.87 128.41 54.89 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 120.544 -1.348 . . . . 0.0 107.603 175.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.6 mt -107.87 121.41 60.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 176.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.61 147.23 50.71 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.44 47.21 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.722 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.542 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.81 6.43 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 118.6 -1.24 . . . . 0.0 108.029 178.151 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.3 40.13 Favored Glycine 0 C--N 1.295 -1.714 0 C-N-CA 118.007 -2.044 . . . . 0.0 110.385 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.35 -40.63 82.71 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.43 -0.885 . . . . 0.0 112.199 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -114.06 36.76 3.56 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 115.878 -2.329 . . . . 0.0 108.574 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.55 65.77 Favored 'General case' 0 N--CA 1.522 3.162 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -174.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.447 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.61 27.53 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 119.577 -1.952 . . . . 0.0 110.972 -176.55 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.821 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.75 97.77 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -58.99 -49.6 77.27 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.47 -1.692 . . . . 0.0 110.09 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.79 -42.22 88.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-O 122.201 1.0 . . . . 0.0 109.297 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.88 -47.88 76.57 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 122.086 0.946 . . . . 0.0 108.71 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.821 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.85 -38.35 76.46 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.684 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.437 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.58 -28.6 59.01 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.414 -1.429 . . . . 0.0 110.866 -174.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -39.57 71.54 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.457 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.86 -49.2 63.42 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.529 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.29 -45.23 84.31 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.976 -1.089 . . . . 0.0 110.538 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.28 85.12 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.862 -1.149 . . . . 0.0 111.535 -177.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.85 61.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.116 -0.99 . . . . 0.0 110.281 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.83 -32.29 46.12 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.583 -0.698 . . . . 0.0 111.364 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.46 12.29 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 124.276 1.989 . . . . 0.0 112.946 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.81 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.4 mt-10 . . . . . 0 C--N 1.276 -2.591 0 CA-C-N 111.172 -2.74 . . . . 0.0 110.121 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.644 ' P ' ' HE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -60.01 -36.95 78.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.3 mt-10 -60.98 -77.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.6 mt -38.56 -36.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.407 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -62.9 -50.13 72.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.917 0.389 . . . . 1.9399999999999999 110.365 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.3 mt-10 -68.37 -36.39 79.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.243 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.501 HG11 HD11 ' A' ' 58' ' ' LEU . 85.8 t -64.72 -43.31 96.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 4' ' ' LEU . 72.0 t -60.79 -44.56 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.895 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.9 mtp -58.75 -41.24 86.06 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.516 -0.549 . . . . 0.17999999999999999 109.516 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.63 96.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.264 -1.135 . . . . 0.0 110.264 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.432 HD13 ' OE1' ' A' ' 55' ' ' GLN . 84.0 mt -62.97 -43.14 99.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.207 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.12 -44.44 99.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.004 -0.544 . . . . 0.20000000000000001 109.773 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.488 HD13 ' NZ ' ' D' ' 324' ' ' LYS . 90.0 mt -63.52 -43.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.01 109.983 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.13 -46.8 89.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.784 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -59.9 -44.46 94.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.924 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -62.14 -42.55 99.73 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -63.28 -42.25 99.07 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.496 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.65 -49.87 75.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.47 -46.3 90.58 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -54.33 -44.18 71.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.84 -42.43 99.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.636 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -59.15 -50.91 72.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.35 -42.95 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.596 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.72 95.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.717 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.39 85.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.633 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.86 -45.39 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.499 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.98 -42.73 76.79 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -60.95 -41.71 96.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.94 95.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.74 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.79 -29.89 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.171 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -82.75 -4.35 57.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.486 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.56 17.47 70.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -98.45 79.62 2.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.783 0.325 . . . . 0.0 110.303 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -64.58 -34.11 77.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.727 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.49 78.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.027 0.441 . . . . 0.0 110.664 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.07 83.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.64 -47.84 81.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.613 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.88 -43.32 99.08 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.666 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.77 98.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.1 mmm -65.98 -40.45 91.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.554 ' HE3' HG23 ' A' ' 92' ' ' THR . 94.0 mtp -62.79 -41.19 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.594 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.29 -43.32 99.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.94 -40.24 97.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.222 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t -61.59 -46.82 88.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.559 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 76.7 ttt180 -59.13 -43.12 91.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.37 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.532 ' SD ' ' C ' ' A' ' 46' ' ' MET . 18.7 tmm? -60.12 -43.96 95.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.174 0.511 . . . . 0.0 110.576 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.54 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.187 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.496 HD21 ' CB ' ' A' ' 18' ' ' ALA . 89.4 mt -65.37 -40.3 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.676 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 52.4 t-20 -60.87 -42.21 97.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.237 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.07 -39.81 93.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.191 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -46.05 74.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.486 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.55 -39.68 88.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.044 -0.525 . . . . 0.089999999999999997 110.412 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.16 -43.76 95.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.326 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.64 -43.51 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.035 0.445 . . . . 0.0 110.083 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.432 ' OE1' HD13 ' A' ' 11' ' ' LEU . 67.1 tp60 -59.52 -44.16 93.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.313 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -57.13 -42.38 80.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.059999999999999998 110.033 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.446 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.501 HD11 HG11 ' A' ' 7' ' ' VAL . 95.9 mt -63.64 -30.79 71.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.66 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -85.71 -32.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.050000000000000003 110.848 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 61' ' ' GLY . 80.6 mm-40 -82.36 -9.67 59.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.456 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 60' ' ' GLU . . . -37.28 -80.39 0.03 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -144.72 95.43 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.5 144.89 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.78 147.82 23.13 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -56.46 102.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.36 1.7 65.57 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -118.57 129.22 55.21 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.777 0.322 . . . . 0.0 110.418 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.7 mmm -74.9 140.53 43.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.596 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -72.29 63.09 0.52 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.95 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.2 t -102.7 123.77 56.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.724 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 75' ' ' VAL . 83.3 p -135.91 169.12 18.09 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.11 -42.11 85.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.604 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.596 HG13 HG21 ' A' ' 8' ' ' VAL . 59.3 t -65.9 -46.04 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.956 0.408 . . . . 0.0 110.578 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.46 -42.51 95.91 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.187 -0.46 . . . . 0.11 110.924 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 71' ' ' SER . 54.9 t -59.54 -46.51 92.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.76 -0.654 . . . . 0.38 110.207 -179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -58.33 -45.1 88.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.285 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.48 87.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.512 -0.313 . . . . 0.059999999999999998 110.605 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -62.16 -40.96 97.75 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.207 -0.451 . . . . 1.0900000000000001 110.213 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 83' ' ' THR . 37.5 tp -55.02 -47.06 75.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.421 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.588 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 38.4 m80 -68.6 -45.53 71.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.285 -0.416 . . . . 0.080000000000000002 110.717 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.95 -49.31 76.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.811 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.23 -44.28 96.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.209 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.7 p -61.95 -45.32 94.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.124 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -62.78 -47.49 83.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.458 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.4 tpp -59.05 -48.15 82.63 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.551 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.63 -45.04 95.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.127 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.18 -47.17 81.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.847 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 78.8 ttt-85 -59.36 -44.71 92.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.191 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.62 -46.58 89.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.129 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.09 -42.12 94.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.247 0.546 . . . . 0.0 109.892 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.426 HD13 ' HB1' ' A' ' 22' ' ' ALA . 65.7 mt -60.16 -41.97 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.27 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.554 HG23 ' HE3' ' A' ' 41' ' ' MET . 66.1 m -57.29 -45.91 83.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.469 . . . . 0.0 109.881 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.01 -42.77 99.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.56 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 13.7 mt -60.06 -44.05 94.98 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.4 -43.25 96.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.562 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.494 ' HG2' ' HZ3' ' A' ' 100' ' ' LYS . 83.3 tt0 -59.08 -39.54 82.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.705 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.836 HD21 ' NE2' ' B' ' 98' ' ' HIS . 36.5 mt -61.68 -41.75 97.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.916 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.714 ' NE2' HD21 ' C' ' 97' ' ' LEU . 74.3 m80 -59.01 -39.96 83.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' ALA . 83.5 tt0 -61.61 -41.69 97.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.179 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.494 ' HZ3' ' HG2' ' A' ' 96' ' ' GLU . 60.7 mttp -63.19 -37.63 88.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.79 -40.86 95.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -91.47 -7.11 51.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.486 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.521 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -60.17 -37.02 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.5 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.1 mt-10 -60.68 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.451 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.742 ' O ' HG23 ' B' ' 8' ' ' VAL . 94.4 mt -38.61 -36.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.511 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.83 -50.11 72.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 1.9399999999999999 110.386 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' B' ' 3' ' ' GLU . 96.9 mt-10 -68.25 -36.34 79.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.218 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.5 HG11 HD11 ' B' ' 58' ' ' LEU . 92.3 t -65.13 -43.27 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 4' ' ' LEU . 69.1 t -60.73 -44.4 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.933 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.1 mtp -59.04 -40.82 86.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.611 -0.514 . . . . 0.17999999999999999 109.611 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.44 -42.2 96.0 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.101 -1.199 . . . . 0.0 110.101 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.425 HD13 ' OE1' ' B' ' 55' ' ' GLN . 85.1 mt -63.24 -43.25 98.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.827 0.346 . . . . 0.0 110.325 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.08 -44.5 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.28999999999999998 109.71 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.33 -43.94 98.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 0.02 109.936 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -60.7 -46.59 89.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.868 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.5 t -59.93 -44.58 94.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.131 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.57 99.77 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -63.85 -42.34 97.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.67 -49.96 75.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.914 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.2 -46.33 90.09 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.2 m -54.56 -43.8 72.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.94 -42.43 99.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.727 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.422 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -59.38 -50.74 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.47 -42.9 93.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.704 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.77 95.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.744 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.18 85.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.656 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.97 -45.7 93.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.303 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.97 -42.46 76.29 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -61.23 -41.43 96.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.9 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.68 96.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.666 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.76 -30.14 69.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.057 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.65 -4.61 58.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.83 17.4 70.34 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.43 79.77 2.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.307 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.98 -33.84 77.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.573 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.32 -48.47 77.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.034 0.445 . . . . 0.0 110.781 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.67 81.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.368 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.12 80.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.566 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.73 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.62 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.09 98.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.686 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 84.5 mmm -65.74 -40.45 92.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.534 ' HE3' HG23 ' B' ' 92' ' ' THR . 94.0 mtp -62.69 -41.29 99.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.441 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.03 -40.36 97.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.257 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 42.0 t -61.37 -46.66 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.487 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.49 -42.99 93.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.269 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' B' ' 46' ' ' MET . 18.6 tmm? -60.09 -43.68 95.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.285 0.564 . . . . 0.0 110.613 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.79 97.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.12 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' B' ' 18' ' ' ALA . 89.1 mt -65.2 -40.39 94.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.772 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -60.61 -42.21 96.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.341 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.23 -39.73 93.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.173 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.53 -45.76 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.489 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.83 -39.68 89.96 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.089999999999999997 110.297 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 53' ' ' LEU . 41.1 mt -60.25 -43.89 95.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.375 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.55 -43.6 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.986 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.425 ' OE1' HD13 ' B' ' 11' ' ' LEU . 67.4 tp60 -59.46 -43.97 93.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.216 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -57.6 -41.99 82.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.059999999999999998 109.923 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.73 -39.49 94.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 110.593 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.5 HD11 HG11 ' B' ' 7' ' ' VAL . 95.8 mt -63.98 -30.76 71.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.691 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.9 mt -85.46 -32.38 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.09 -0.505 . . . . 0.040000000000000001 110.789 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -82.09 -9.44 59.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -37.37 -80.81 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -144.28 95.18 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.741 0.305 . . . . 0.0 110.564 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.3 145.06 49.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.91 148.01 23.12 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -56.55 102.2 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.598 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.61 1.42 66.05 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -118.18 129.52 55.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.655 0.264 . . . . 0.0 110.503 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 97.7 mmm -75.19 141.62 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.597 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -73.16 63.59 0.71 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -104.23 123.29 57.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.833 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.427 ' O ' HG23 ' B' ' 75' ' ' VAL . 89.5 p -135.49 170.63 15.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.538 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 39.6 mt -60.02 -42.22 93.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.583 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.571 HG13 HG21 ' B' ' 8' ' ' VAL . 54.6 t -64.72 -45.53 94.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.609 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.61 -42.3 95.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.09 0.471 . . . . 0.11 110.93 -178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 71' ' ' SER . 53.3 t -59.57 -46.61 92.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.785 -0.643 . . . . 0.38 110.286 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -58.25 -45.7 87.33 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.82 -0.352 . . . . 1.1100000000000001 110.32 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.96 91.8 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.903 0.383 . . . . 0.059999999999999998 110.395 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -62.71 -40.83 98.39 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.079 -0.51 . . . . 1.0900000000000001 110.217 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.564 ' O ' HG23 ' B' ' 83' ' ' THR . 37.6 tp -55.35 -47.01 76.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -68.49 -45.66 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.302 -0.408 . . . . 0.080000000000000002 110.747 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.93 -49.54 75.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.03 -44.25 97.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.238 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.6 p -62.09 -45.11 94.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.177 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -62.79 -47.31 84.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.581 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.2 tpp -59.35 -48.24 82.38 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.455 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.35 -45.28 95.05 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.101 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.19 80.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.911 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -59.65 -44.57 93.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.248 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -60.71 -46.59 89.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.154 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.01 -41.68 95.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.156 0.503 . . . . 0.0 110.064 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.422 HD13 ' HB1' ' B' ' 22' ' ' ALA . 67.0 mt -60.73 -41.99 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.141 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.534 HG23 ' HE3' ' B' ' 41' ' ' MET . 72.0 m -57.03 -46.0 82.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.075 0.464 . . . . 0.0 109.921 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.479 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.561 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.0 mt -60.29 -43.76 95.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.89 -43.13 97.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.572 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.458 ' HG2' ' HZ3' ' B' ' 100' ' ' LYS . 84.3 tt0 -59.21 -39.49 82.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.748 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.86 HD21 ' NE2' ' C' ' 98' ' ' HIS . 34.7 mt -61.64 -41.81 98.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.845 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.836 ' NE2' HD21 ' A' ' 97' ' ' LEU . 74.3 m80 -58.8 -40.36 83.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.759 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' B' ' 103' ' ' ALA . 83.2 tt0 -61.43 -41.16 96.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.122 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . 0.458 ' HZ3' ' HG2' ' B' ' 96' ' ' GLU . 60.7 mttp -63.87 -37.57 87.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.176 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.58 -41.24 96.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -91.05 -7.51 51.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.67 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.25 -36.64 78.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.5 mt-10 -60.89 -77.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.752 ' O ' HG23 ' C' ' 8' ' ' VAL . 94.8 mt -38.7 -37.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.369 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.55 -50.51 71.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.796 0.331 . . . . 1.9399999999999999 110.387 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' C' ' 3' ' ' GLU . 96.6 mt-10 -68.01 -36.84 80.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.489 HG11 HD11 ' C' ' 58' ' ' LEU . 94.5 t -64.42 -43.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.349 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.752 HG23 ' O ' ' C' ' 4' ' ' LEU . 71.2 t -60.91 -44.46 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.968 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 87.5 mtp -58.84 -40.81 85.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.545 -0.539 . . . . 0.17999999999999999 109.545 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.17 -42.67 96.3 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.417 HD13 ' OE1' ' C' ' 55' ' ' GLN . 85.6 mt -62.95 -42.81 99.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.939 0.399 . . . . 0.0 110.425 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.37 -44.57 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.968 -0.56 . . . . 0.29999999999999999 109.717 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.18 -43.73 98.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.02 110.075 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.13 -46.67 89.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.812 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 35.1 t -59.86 -44.55 94.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.189 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.96 99.72 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -63.74 -42.42 97.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.494 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.51 -50.27 74.38 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.92 -46.77 88.3 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -54.22 -44.03 71.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.67 -42.35 99.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.721 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.437 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -59.44 -51.12 71.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.24 -42.9 92.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.493 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.7 95.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.712 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.68 -44.02 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.502 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.37 -45.36 94.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.434 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.95 -43.12 77.17 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -60.79 -41.33 95.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.894 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.59 96.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.843 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.95 -29.93 69.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.11 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.56 -4.58 57.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.447 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.04 17.01 70.75 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.22 79.73 2.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.713 0.292 . . . . 0.0 110.253 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -65.03 -33.94 77.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.629 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.31 -48.26 78.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.015 0.436 . . . . 0.0 110.651 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.75 81.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.436 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.51 82.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.49 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.22 -43.51 98.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.597 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.44 98.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 84.2 mmm -65.37 -40.85 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.564 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.517 ' HE1' HG23 ' C' ' 92' ' ' THR . 94.0 mtp -62.47 -41.23 98.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.668 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -61.38 -43.07 99.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.445 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.18 -40.11 96.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 43.5 t -61.82 -46.2 90.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.518 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.416 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 75.9 ttt180 -59.81 -42.7 94.04 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.311 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . 0.541 ' C ' ' SD ' ' C' ' 46' ' ' MET . 18.6 tmm? -60.62 -43.39 97.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 110.554 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.96 98.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.344 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.494 HD21 ' CB ' ' C' ' 18' ' ' ALA . 89.2 mt -65.23 -40.42 94.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 52.0 t-20 -60.78 -42.45 97.53 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.317 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.87 -40.12 94.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.017 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.23 75.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.401 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.44 -39.66 88.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.089999999999999997 110.307 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.53 -43.43 97.15 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.35 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.77 -43.67 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.013 0.435 . . . . 0.0 109.946 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.417 ' OE1' HD13 ' C' ' 11' ' ' LEU . 67.2 tp60 -59.43 -44.21 92.95 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.205 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.754 HG21 HG22 ' D' ' 356' ' ' THR . 18.8 m -57.21 -42.21 80.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.059999999999999998 110.203 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.73 -39.11 93.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.505 HD22 ' CD2' ' C' ' 4' ' ' LEU . 95.7 mt -63.99 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.772 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -85.45 -32.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.935 -0.575 . . . . 0.059999999999999998 110.864 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -82.43 -9.28 59.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.478 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' C' ' 60' ' ' GLU . . . -37.46 -80.57 0.03 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -144.49 94.82 2.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.869 0.366 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.528 ' HB3' HG22 ' D' ' 352' ' ' THR . . . -70.68 145.2 50.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.12 148.15 23.02 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -56.75 102.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . 0.59 ' O ' ' CE1' ' D' ' 348' ' ' PHE . . . 75.02 1.96 64.42 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -118.44 129.49 55.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.682 0.277 . . . . 0.0 110.546 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 97.7 mmm -75.33 141.93 43.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.607 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -73.69 63.45 0.85 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 58.3 t -103.7 123.23 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.736 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.455 ' O ' HG23 ' C' ' 75' ' ' VAL . 90.4 p -134.5 172.74 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.488 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.86 -41.64 98.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.668 -177.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.558 HG13 HG21 ' C' ' 8' ' ' VAL . 57.0 t -65.42 -46.4 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 130.131 3.372 . . . . 0.0 110.596 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.46 -42.26 87.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.071 0.462 . . . . 0.11 110.975 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.455 HG23 ' O ' ' C' ' 71' ' ' SER . 54.5 t -59.72 -46.88 92.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.792 -0.64 . . . . 0.40000000000000002 110.19 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -58.38 -45.61 87.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.727 0.299 . . . . 1.02 110.338 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.05 90.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.924 0.392 . . . . 0.059999999999999998 110.424 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -62.57 -40.97 98.55 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.196 -0.456 . . . . 1.0900000000000001 110.235 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.569 ' O ' HG23 ' C' ' 83' ' ' THR . 37.5 tp -55.13 -47.12 75.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.452 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -68.64 -45.61 71.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.347 -0.388 . . . . 0.080000000000000002 110.759 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.8 -49.39 76.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.819 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . 0.551 ' SD ' HD21 ' A' ' 79' ' ' LEU . 93.6 mtp -62.29 -44.16 97.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.386 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.569 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.9 p -62.05 -45.17 94.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.198 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.76 -47.54 83.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 9.1 tpp -58.88 -48.3 81.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.534 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.41 -45.39 94.53 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.134 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.63 -47.4 79.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.987 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.416 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 78.7 ttt-85 -59.42 -44.79 92.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.21 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.22 -46.66 88.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.234 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.29 -41.87 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.119 0.485 . . . . 0.0 110.008 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.437 HD13 ' HB1' ' C' ' 22' ' ' ALA . 66.0 mt -60.38 -41.77 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.325 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.517 HG23 ' HE1' ' C' ' 41' ' ' MET . 71.0 m -57.35 -45.93 83.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.146 0.498 . . . . 0.0 109.975 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.93 -42.58 99.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.491 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.559 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.3 mt -60.36 -43.82 96.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.48 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.86 -43.06 96.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.504 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . 0.42 ' HG2' ' HZ3' ' C' ' 100' ' ' LYS . 84.2 tt0 -59.0 -39.66 82.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.098 0.475 . . . . 0.0 109.725 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.714 HD21 ' NE2' ' A' ' 98' ' ' HIS . 36.0 mt -61.49 -41.59 97.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.938 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.86 ' NE2' HD21 ' B' ' 97' ' ' LEU . 74.4 m80 -59.36 -39.86 84.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' C' ' 103' ' ' ALA . 83.3 tt0 -61.8 -41.21 97.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.048 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . 0.42 ' HZ3' ' HG2' ' C' ' 96' ' ' GLU . 60.8 mttp -63.59 -37.88 89.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.196 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.53 -41.1 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.293 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -91.17 -7.67 50.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.537 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 121.881 0.848 . . . . 0.0 108.977 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.81 143.01 36.65 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.33 38.61 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.973 -1.08 . . . . 0.0 109.573 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.17 149.14 28.43 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.3 19.0 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.095 -1.003 . . . . 0.0 108.348 178.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.85 144.38 19.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.68 136.57 37.03 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 122.14 0.971 . . . . 0.0 110.069 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.32 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 177.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.9 -4.27 19.35 Favored 'General case' 0 C--N 1.265 -3.099 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.808 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.56 141.88 85.75 Favored Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 119.67 -1.894 . . . . 0.0 110.632 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.5 -47.63 12.95 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 124.754 3.636 . . . . 0.0 114.158 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -102.17 27.52 6.6 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 116.07 -2.252 . . . . 0.0 108.768 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 65.94 -127.27 30.29 Favored Glycine 0 N--CA 1.497 2.721 0 C-N-CA 117.725 -2.178 . . . . 0.0 109.543 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 7.0 tp -127.07 79.1 1.86 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.983 -1.304 . . . . 0.0 109.463 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.96 173.98 8.99 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 117.815 -1.554 . . . . 0.0 112.182 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.505 ' OG1' ' O1 ' ' D' ' 200' ' ' PO3 . 6.8 p -22.57 -68.6 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -176.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.52 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 4.0 ttt-85 -45.75 -66.34 0.52 Allowed Pre-proline 0 N--CA 1.493 1.7 0 C-N-CA 120.125 -0.63 . . . . 0.0 112.456 -177.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' D' ' 317' ' ' ARG . 20.8 Cg_endo -64.06 -32.18 64.61 Favored 'Trans proline' 0 C--N 1.315 -1.212 0 C-N-CA 121.821 1.681 . . . . 0.0 111.497 176.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.484 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.95 -38.88 86.93 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.253 -0.904 . . . . 0.0 109.451 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.99 -39.67 72.33 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.97 -39.41 94.06 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 118.013 -1.475 . . . . 0.0 109.515 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.67 -45.3 93.43 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 122.575 1.179 . . . . 0.0 108.723 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.484 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.5 t -62.62 -42.27 95.35 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.679 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.488 ' NZ ' HD13 ' A' ' 13' ' ' ILE . 81.6 mttt -63.84 -40.29 96.24 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.227 -0.921 . . . . 0.0 109.795 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.75 -39.78 80.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.501 -0.749 . . . . 0.0 109.536 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.94 91.74 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.658 -1.276 . . . . 0.0 109.4 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.35 -16.19 43.65 Favored 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.99 -10.49 86.23 Favored Glycine 0 N--CA 1.479 1.549 0 O-C-N 119.941 -1.724 . . . . 0.0 109.336 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.419 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.28 32.93 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.191 -1.77 . . . . 0.0 110.044 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.56 -30.03 59.54 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.18 -0.95 . . . . 0.0 112.31 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.77 158.54 10.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 119.8 -1.813 . . . . 0.0 112.819 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.29 35.41 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 171.27 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.67 136.64 60.23 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.435 0 CA-C-O 122.203 1.001 . . . . 0.0 109.333 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.91 143.17 51.0 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 123.042 1.401 . . . . 0.0 109.991 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.2 t -108.13 129.95 61.5 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.733 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 173.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.42 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.3 m -127.45 119.5 26.27 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.84 -1.162 . . . . 0.0 108.951 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.2 t -122.46 122.65 39.47 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.935 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.67 38.99 24.2 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.946 -1.096 . . . . 0.0 112.801 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 10.98 83.59 Favored Glycine 0 N--CA 1.5 2.939 0 O-C-N 119.873 -1.767 . . . . 0.0 112.585 177.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.85 136.29 54.54 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.274 -2.121 . . . . 0.0 105.274 177.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.1 m -124.8 158.54 33.12 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.748 1.737 . . . . 0.0 112.492 -176.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.44 31.47 Favored 'General case' 0 C--N 1.278 -2.515 0 CA-C-N 112.492 -2.14 . . . . 0.0 108.548 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.59 135.94 48.85 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 105.612 -1.995 . . . . 0.0 105.612 173.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.9 -6.81 47.61 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.769 -1.207 . . . . 0.0 110.785 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.5 12.91 31.72 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.603 -1.31 . . . . 0.0 109.332 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 98.5 p -133.07 104.19 6.4 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.185 0.993 . . . . 0.0 110.167 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.19 -37.92 72.89 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.992 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . 0.59 ' CE1' ' O ' ' C' ' 66' ' ' GLY . 63.6 m-85 -58.96 -51.33 70.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.602 -1.312 . . . . 0.0 113.017 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.05 -32.49 70.64 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 119.575 -1.953 . . . . 0.0 109.165 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.69 75.72 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.971 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.547 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.65 -10.46 52.45 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.615 -0.678 . . . . 0.0 109.989 -177.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . 0.528 HG22 ' HB3' ' C' ' 63' ' ' ALA . 40.2 p -89.76 -7.74 53.79 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 118.087 -1.445 . . . . 0.0 110.982 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.3 159.35 15.31 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.243 -0.91 . . . . 0.0 110.201 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.87 2.97 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 106.931 -2.468 . . . . 0.0 106.931 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.1 mt -119.64 47.38 1.73 Allowed 'General case' 0 C--N 1.31 -1.134 0 O-C-N 120.666 -1.491 . . . . 0.0 107.42 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.754 HG22 HG21 ' C' ' 56' ' ' THR . 47.9 p -81.45 172.52 13.42 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.168 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.69 140.96 57.31 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.801 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.4 -3.22 79.09 Favored Glycine 0 N--CA 1.501 3.001 0 C-N-CA 119.953 -1.118 . . . . 0.0 111.348 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.45 135.96 34.04 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.884 -1.362 . . . . 0.0 110.605 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.63 123.75 49.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.481 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.2 m -112.24 160.04 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 117.4 -1.72 . . . . 0.0 110.59 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.42 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.3 m -108.84 128.29 54.77 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.517 -1.364 . . . . 0.0 107.631 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.82 121.42 60.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 176.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.405 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.22 50.7 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.547 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.39 47.24 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.825 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.14 110.8 6.44 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 118.588 -1.245 . . . . 0.0 107.996 178.214 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.2 -170.26 40.1 Favored Glycine 0 C--N 1.295 -1.696 0 C-N-CA 118.011 -2.042 . . . . 0.0 110.328 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.64 82.8 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-N 114.338 -0.931 . . . . 0.0 112.201 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.0 36.67 3.58 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 115.946 -2.302 . . . . 0.0 108.614 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.34 -33.52 65.71 Favored 'General case' 0 N--CA 1.521 3.108 0 N-CA-C 116.831 2.159 . . . . 0.0 116.831 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.435 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.56 27.43 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 119.583 -1.948 . . . . 0.0 110.984 -176.527 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.814 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.7 -40.6 97.18 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.47 77.74 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 117.437 -1.705 . . . . 0.0 110.078 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.0 t -66.83 -42.19 88.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-O 122.279 1.038 . . . . 0.0 109.289 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.93 76.45 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 122.119 0.961 . . . . 0.0 108.732 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.814 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.82 -38.35 76.54 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.657 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.4 mt -75.52 -28.71 59.21 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.347 -1.471 . . . . 0.0 110.887 -174.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -39.54 71.56 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.408 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.86 -49.29 62.93 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.27 -45.22 84.27 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.512 177.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.481 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.4 -37.32 85.31 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.838 -1.164 . . . . 0.0 111.517 -177.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.82 61.68 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.133 -0.979 . . . . 0.0 110.252 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.92 -32.3 45.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.492 -0.755 . . . . 0.0 111.346 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.46 12.26 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 124.289 1.995 . . . . 0.0 112.847 178.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.808 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.7 tt0 . . . . . 0 C--N 1.276 -2.589 0 CA-C-N 111.136 -2.757 . . . . 0.0 110.136 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.588 ' O1 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -57.46 -36.22 71.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 6' ' ' GLU . 51.1 tp10 -59.73 -74.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.436 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.7 mt -38.35 -38.13 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -178.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.63 -47.43 78.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.848 0.356 . . . . 1.9399999999999999 110.293 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.0 mt-10 -67.91 -35.88 79.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.245 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.65 -42.97 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.386 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.655 HG21 HG13 ' A' ' 73' ' ' VAL . 70.2 t -60.88 -43.94 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.92 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.44 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.3 mtp -59.2 -42.45 90.94 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.512 -0.551 . . . . 0.17999999999999999 109.512 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.4 -41.86 97.9 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.38 -42.34 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.154 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.0 -44.21 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.20000000000000001 109.748 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.519 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.9 mt -63.9 -44.09 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.992 -0.549 . . . . 0.01 109.995 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.415 HD22 ' HA ' ' A' ' 14' ' ' ASN . 7.7 m120 -61.98 -45.76 92.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.784 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.29 -44.59 95.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.931 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.64 -43.38 99.07 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.48 -43.5 97.11 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -50.17 74.48 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.889 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.61 -45.94 90.44 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.423 ' HB2' HH22 ' D' ' 317' ' ' ARG . 11.7 t -55.68 -43.99 76.88 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.91 -43.15 96.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.68 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.02 -50.87 72.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.26 -40.86 87.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.622 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.64 88.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.763 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.35 86.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.717 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.28 -45.36 94.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.505 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.69 -41.72 74.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.62 -41.91 98.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.765 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.76 92.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.719 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.56 -29.04 69.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.152 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -81.14 -5.04 57.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.482 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.84 15.36 67.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -98.7 79.64 2.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.744 0.306 . . . . 0.0 110.267 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.56 -34.47 78.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.629 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.35 84.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.007 0.432 . . . . 0.0 110.742 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.94 -35.47 80.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.377 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.63 82.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.573 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -62.44 -42.48 99.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.665 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.22 97.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.738 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.55 -42.0 92.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.519 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.515 ' SD ' HD12 ' A' ' 95' ' ' ILE . 74.9 mtm -64.73 -40.45 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.635 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -61.51 -47.94 83.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.013 0.435 . . . . 0.0 110.558 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.42 -41.11 98.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.219 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.28 -46.74 89.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.539 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -60.43 -42.99 97.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.326 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.81 -43.62 97.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.243 0.544 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.223 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.665 HD21 ' OG ' ' A' ' 84' ' ' SER . 12.5 mt -65.43 -39.52 92.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.59 -43.23 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.236 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.43 -39.86 92.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.228 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.9 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.47 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -61.13 -39.39 89.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.019 -0.537 . . . . 0.089999999999999997 110.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.9 mt -60.21 -43.87 95.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.77 -42.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.973 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.83 -43.87 97.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.247 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.5 m -56.46 -43.32 79.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.059999999999999998 110.045 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.15 -39.37 92.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.49 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' A' ' 4' ' ' LEU . 96.0 mt -64.93 -31.28 72.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.663 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.471 ' CG1' HD22 ' A' ' 74' ' ' LEU . 96.6 mt -84.0 -33.38 9.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.050000000000000003 110.871 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -82.55 -7.59 59.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.476 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.8 -172.91 0.03 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -88.76 109.27 20.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 110.565 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.04 143.44 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.1 158.67 50.41 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.85 121.0 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.697 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.61 -9.59 71.21 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -98.64 141.96 30.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.731 0.3 . . . . 0.0 110.413 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -81.68 -165.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -88.85 -9.19 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.94 0.4 . . . . 0.0 110.937 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.4 t -104.04 124.13 58.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.697 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.505 ' O ' HG23 ' A' ' 75' ' ' VAL . 95.7 p -129.55 161.61 30.11 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.18 -44.47 83.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.665 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.655 HG13 HG21 ' A' ' 8' ' ' VAL . 66.6 t -64.46 -48.02 86.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.865 0.364 . . . . 0.0 110.553 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.471 HD22 ' CG1' ' A' ' 59' ' ' ILE . 97.4 mt -64.07 -42.16 97.08 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.228 -0.442 . . . . 0.11 110.928 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 71' ' ' SER . 53.3 t -59.5 -47.63 90.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.726 -0.67 . . . . 0.38 110.103 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -58.16 -46.95 84.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.799 0.333 . . . . 0.0 110.347 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.89 96.1 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.75 0.31 . . . . 0.059999999999999998 110.612 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.457 HE21 ' HG2' ' A' ' 82' ' ' MET . 61.3 tp60 -62.62 -41.47 99.02 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.248 -0.433 . . . . 1.0900000000000001 110.166 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 83' ' ' THR . 40.8 tp -56.48 -46.75 80.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.417 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.651 ' NE2' ' O1 ' ' D' ' 200' ' ' PO3 . 47.1 m80 -67.36 -46.17 74.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.302 -0.408 . . . . 0.080000000000000002 110.665 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.72 -46.21 91.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.793 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.457 ' HG2' HE21 ' A' ' 78' ' ' GLN . 87.5 mmm -61.04 -42.48 98.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.182 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.8 p -62.84 -45.15 93.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.125 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.665 ' OG ' HD21 ' A' ' 48' ' ' LEU . 11.6 t -62.57 -49.12 76.55 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.449 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.82 -48.26 80.26 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.719 0.295 . . . . 0.0 110.58 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.25 -45.19 95.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 110.068 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.29 83.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.869 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 HD12 ' A' ' 48' ' ' LEU . 56.6 ttp180 -57.8 -45.87 85.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.143 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.583 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 98.1 mt-10 -62.1 -43.51 98.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.086 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.43 -43.0 91.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.13 0.491 . . . . 0.0 109.856 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.553 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 70.9 mt -60.25 -42.36 90.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.238 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.0 m -57.68 -45.98 84.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.83 -44.64 95.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.562 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.79 -44.42 90.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.515 HD12 ' SD ' ' A' ' 41' ' ' MET . 91.1 mt -61.37 -42.82 95.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.483 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -60.91 -39.39 89.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.63 -41.59 99.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.786 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -59.29 -39.65 83.65 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.473 ' O ' ' O ' ' A' ' 102' ' ' LYS . 10.6 tm-20 -63.25 -38.83 92.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.554 ' NZ ' ' CD2' ' B' ' 98' ' ' HIS . 98.2 mttt -64.57 -39.5 93.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.214 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.03 -42.14 94.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.391 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 99' ' ' GLU . 64.2 mttp -90.8 140.19 30.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.464 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.566 0 CA-C-O 117.911 -1.043 . . . . 0.0 110.508 179.865 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -56.96 -36.42 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 6' ' ' GLU . 50.6 tp10 -59.57 -74.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.491 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.617 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.8 mt -38.36 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.498 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.74 -47.49 78.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.863 0.363 . . . . 1.9399999999999999 110.32 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt-10 -67.61 -35.98 79.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.237 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.56 -43.26 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.34 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.639 HG21 HG13 ' B' ' 73' ' ' VAL . 70.6 t -60.84 -43.71 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.87 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -59.54 -42.06 91.48 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.501 -0.555 . . . . 0.17999999999999999 109.501 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.04 97.51 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.3 -42.52 99.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.826 0.346 . . . . 0.0 110.421 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.87 -44.4 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.28999999999999998 109.685 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.57 -44.29 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.875 -0.602 . . . . 0.02 109.926 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -61.8 -45.6 93.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.851 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.45 -44.44 95.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.09 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.26 99.23 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.55 -43.59 96.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.23 74.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.915 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.583 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 76.7 ttt180 -59.6 -45.88 90.61 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -55.81 -43.87 77.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.91 -43.33 96.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.747 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.553 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -58.9 -51.08 71.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.47 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.0 m-85 -59.27 -40.8 87.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.691 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.81 88.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.685 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.23 86.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.612 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.62 -45.46 93.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.383 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.66 -41.77 74.12 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.51 -41.93 98.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.857 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.84 93.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.667 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.3 -29.15 69.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.084 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -81.34 -4.87 56.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.387 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.59 15.57 68.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -98.77 79.2 2.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.714 0.292 . . . . 0.0 110.303 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -64.34 -34.51 78.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.604 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.44 -47.62 83.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.947 0.403 . . . . 0.0 110.742 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.2 80.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.429 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.75 -47.83 81.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.555 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.28 -42.74 99.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.556 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.3 98.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.62 -42.22 91.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.527 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.522 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.9 mtm -64.27 -40.67 96.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.557 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.68 -47.93 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.458 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.28 -41.01 98.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.269 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.49 -46.61 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.457 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -60.7 -42.86 98.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.332 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.1 ttp -60.76 -43.51 97.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.225 0.536 . . . . 0.0 110.617 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.28 99.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.177 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.674 HD21 ' OG ' ' B' ' 84' ' ' SER . 12.0 mt -65.55 -39.62 91.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.756 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.61 -43.12 97.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.03 -40.06 94.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.172 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.92 76.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.453 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.33 -39.09 89.24 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.089999999999999997 110.248 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.44 -43.99 96.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.39 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.37 -43.48 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.08 0.467 . . . . 0.0 110.029 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -60.15 -44.11 95.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.8 m -56.49 -43.37 79.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.059999999999999998 110.01 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.16 -39.17 91.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.568 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' B' ' 4' ' ' LEU . 96.3 mt -64.9 -31.21 72.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.756 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.462 ' CG1' HD22 ' B' ' 74' ' ' LEU . 96.8 mt -83.97 -33.69 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.023 -0.535 . . . . 0.040000000000000001 110.691 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -82.1 -7.86 59.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.37 -173.42 0.03 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -88.44 109.44 20.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.546 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 143.71 51.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.403 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.2 159.35 49.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.52 120.67 14.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.596 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.83 -9.28 70.79 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.72 142.12 30.67 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.667 0.27 . . . . 0.0 110.487 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -81.85 -164.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -89.13 -8.83 53.0 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.828 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.11 124.22 59.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.776 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.545 ' O ' HG23 ' B' ' 75' ' ' VAL . 91.9 p -129.29 164.14 24.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.591 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.16 -44.14 95.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.581 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.639 HG13 HG21 ' B' ' 8' ' ' VAL . 58.9 t -63.68 -47.31 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.576 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.462 HD22 ' CG1' ' B' ' 59' ' ' ILE . 97.2 mt -64.63 -41.16 96.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.076 0.465 . . . . 0.11 111.004 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 71' ' ' SER . 52.5 t -60.4 -46.88 94.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.766 -0.652 . . . . 0.38 110.307 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.475 ' CE1' ' CE1' ' B' ' 80' ' ' HIS . 58.7 t-80 -58.95 -46.41 88.11 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.763 -0.375 . . . . 1.1100000000000001 110.339 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.55 95.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.866 0.365 . . . . 0.059999999999999998 110.379 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.469 HE21 ' HG2' ' B' ' 82' ' ' MET . 62.1 tp60 -63.16 -41.26 99.22 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.119 -0.491 . . . . 1.0900000000000001 110.221 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.501 ' O ' HG23 ' B' ' 83' ' ' THR . 41.4 tp -56.87 -46.6 81.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.382 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.475 ' CE1' ' CE1' ' B' ' 76' ' ' HIS . 47.9 m80 -67.35 -46.18 74.15 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.734 -0.386 . . . . 0.080000000000000002 110.687 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.84 -46.36 90.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.844 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.469 ' HG2' HE21 ' B' ' 78' ' ' GLN . 87.6 mmm -60.41 -43.31 96.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.235 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.501 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.1 p -62.17 -45.77 91.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.206 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.674 ' OG ' HD21 ' B' ' 48' ' ' LEU . 11.8 t -61.66 -49.33 76.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.642 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.98 -48.14 80.89 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.456 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.45 -44.74 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.72 83.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.89 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.407 HH11 HD12 ' B' ' 48' ' ' LEU . 56.5 ttp180 -57.47 -46.09 84.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.595 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 97.8 mt-10 -61.66 -43.72 98.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.096 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.67 -42.51 91.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.121 0.486 . . . . 0.0 110.011 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.553 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 73.1 mt -60.38 -42.18 89.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.19 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 71.8 m -58.13 -45.48 87.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.039 0.447 . . . . 0.0 109.874 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.18 -44.47 95.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.491 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.87 -44.45 91.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.522 HD12 ' SD ' ' B' ' 41' ' ' MET . 90.5 mt -61.44 -42.96 95.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.553 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -60.59 -39.5 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.67 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.55 -41.31 98.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.873 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.554 ' CD2' ' NZ ' ' A' ' 100' ' ' LYS . 60.1 m80 -59.34 -39.9 84.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.789 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 102' ' ' LYS . 10.2 tm-20 -63.03 -38.96 93.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.115 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . 0.56 ' NZ ' ' CD2' ' C' ' 98' ' ' HIS . 98.2 mttt -64.38 -39.96 94.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.213 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.42 -42.32 96.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.423 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' B' ' 99' ' ' GLU . 64.4 mttp -90.93 140.4 29.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.541 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -57.63 -35.83 71.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' C' ' 6' ' ' GLU . 51.0 tp10 -60.12 -74.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.35 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.635 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.6 mt -38.15 -38.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.429 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.61 -47.8 77.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.879 0.371 . . . . 1.9399999999999999 110.396 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.2 mt-10 -67.43 -36.04 80.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.298 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.409 HG11 HD11 ' C' ' 58' ' ' LEU . 76.2 t -63.41 -42.91 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.324 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.635 HG23 ' O ' ' C' ' 4' ' ' LEU . 69.6 t -61.19 -43.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.979 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.1 -42.4 90.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.624 -0.51 . . . . 0.17999999999999999 109.624 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.75 98.03 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.54 -42.23 98.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.403 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.16 -44.09 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.956 -0.565 . . . . 0.29999999999999999 109.712 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.8 -44.18 98.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.538 . . . . 0.02 110.048 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -61.88 -45.71 92.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.781 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.36 -44.43 95.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.17 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.04 -42.91 99.5 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.8 -43.55 95.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.22 74.23 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.595 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 76.7 ttt180 -59.32 -46.2 89.24 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 12.0 t -55.58 -44.17 76.64 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.59 -43.04 98.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.773 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.559 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.14 -51.11 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.455 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 7.9 m-85 -59.24 -40.95 87.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.508 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.9 88.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.694 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.42 86.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.525 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.34 -45.35 94.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.474 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.86 -41.3 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.08 -41.62 98.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.891 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.81 93.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.803 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.62 -29.15 69.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.085 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -80.98 -4.84 56.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.475 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.55 15.45 68.43 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -99.01 79.53 2.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.718 0.294 . . . . 0.0 110.302 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -64.67 -34.39 78.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.551 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.57 83.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 110.708 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.35 80.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.416 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.99 80.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.447 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -61.76 -42.85 99.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.651 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.63 99.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.743 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.41 -42.16 92.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.522 ' SD ' HD12 ' C' ' 95' ' ' ILE . 75.0 mtm -64.36 -40.53 96.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.58 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -61.77 -48.33 81.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.424 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.73 -41.53 99.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.01 -46.69 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -60.88 -42.44 97.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.326 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.1 ttp -61.14 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.311 0.576 . . . . 0.0 110.537 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.31 99.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.312 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.663 HD21 ' OG ' ' C' ' 84' ' ' SER . 12.2 mt -65.54 -40.05 92.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.793 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.13 -43.18 95.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.27 -40.45 93.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.089 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -44.96 78.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.454 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.556 ' CE1' ' CG ' ' D' ' 312' ' ' ASN . 84.1 t60 -61.16 -39.31 89.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.991 -0.55 . . . . 0.089999999999999997 110.347 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' C' ' 53' ' ' LEU . 38.4 mt -60.54 -44.04 96.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.04 -43.4 96.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.002 0.43 . . . . 0.0 109.979 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -60.4 -44.12 96.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.246 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.747 HG21 HG22 ' D' ' 356' ' ' THR . 17.1 m -56.36 -43.19 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.059999999999999998 110.11 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.34 -38.97 91.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 110.508 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' C' ' 4' ' ' LEU . 97.1 mt -65.06 -31.09 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.792 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.471 ' CG1' HD22 ' C' ' 74' ' ' LEU . 96.9 mt -84.05 -33.55 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.059999999999999998 110.852 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.526 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 -82.11 -7.97 59.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.463 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.25 -173.76 0.03 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -88.34 109.12 19.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.358 . . . . 0.0 110.518 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.8 143.65 52.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.29 159.31 50.13 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.35 121.2 15.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 110.641 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.3 -9.29 72.16 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -98.82 142.08 30.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.69 0.281 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -82.02 -164.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.558 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -89.44 -8.71 52.42 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.89 123.7 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.77 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.555 ' O ' HG23 ' C' ' 75' ' ' VAL . 93.3 p -128.13 166.29 18.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.482 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' C' ' 72' ' ' LEU . 48.7 mt -61.77 -43.22 99.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.698 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.596 HG13 HG21 ' C' ' 8' ' ' VAL . 53.7 t -65.25 -47.37 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 130.108 3.363 . . . . 0.0 110.592 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.471 HD22 ' CG1' ' C' ' 59' ' ' ILE . 95.5 mt -67.03 -40.57 87.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.084 0.468 . . . . 0.11 110.998 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.555 HG23 ' O ' ' C' ' 71' ' ' SER . 52.4 t -60.93 -47.36 93.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.833 -0.621 . . . . 0.40000000000000002 110.218 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' C' ' 80' ' ' HIS . 58.9 t-80 -58.85 -46.51 87.57 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.845 -0.342 . . . . 1.02 110.371 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.54 95.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.88 0.371 . . . . 0.059999999999999998 110.44 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.47 HE21 ' HG2' ' C' ' 82' ' ' MET . 61.8 tp60 -62.95 -41.25 99.46 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0900000000000001 110.305 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.513 ' O ' HG23 ' C' ' 83' ' ' THR . 41.5 tp -56.9 -46.52 81.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.517 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' C' ' 76' ' ' HIS . 48.9 m80 -67.53 -45.94 74.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.3 -0.409 . . . . 0.080000000000000002 110.808 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.05 -45.96 92.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.807 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . 0.47 ' HG2' HE21 ' C' ' 78' ' ' GLN . 87.5 mmm -60.89 -43.19 98.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.45 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.513 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.7 p -62.1 -45.54 93.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.194 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . 0.663 ' OG ' HD21 ' C' ' 48' ' ' LEU . 11.5 t -62.19 -49.15 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.08 -47.85 81.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.713 0.292 . . . . 0.0 110.535 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.56 -44.76 96.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.929 0.395 . . . . 0.0 110.152 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.28 84.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.968 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.416 HH11 HD12 ' C' ' 48' ' ' LEU . 56.6 ttp180 -57.71 -46.23 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.275 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.36 -43.91 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 0.0 110.165 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.41 -42.82 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.245 0.545 . . . . 0.0 110.033 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.559 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 74.0 mt -60.15 -42.22 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.402 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -58.13 -45.34 87.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.093 0.473 . . . . 0.0 110.021 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.3 -44.27 95.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.52 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 84.7 mt -58.99 -44.55 91.62 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.522 HD12 ' SD ' ' C' ' 41' ' ' MET . 90.1 mt -61.29 -43.01 95.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.557 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -60.38 -39.65 88.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.748 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.43 -41.83 99.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.879 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.56 ' CD2' ' NZ ' ' B' ' 100' ' ' LYS . 60.3 m80 -58.89 -40.05 83.3 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.3 tm-20 -62.88 -39.02 93.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.114 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.28 -39.62 94.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.24 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.81 -42.53 94.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.314 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.3 mttp -90.6 140.57 29.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.504 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.554 -179.919 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.857 0.837 . . . . 0.0 108.957 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.8 142.98 36.66 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.94 156.39 38.8 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.054 -1.029 . . . . 0.0 109.521 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.19 149.18 28.47 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.33 18.97 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.981 -1.074 . . . . 0.0 108.372 178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.8 144.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.7 136.6 37.0 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.158 0.98 . . . . 0.0 110.165 177.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.98 114.31 24.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.88 -4.27 19.37 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.82 85.84 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.696 -1.878 . . . . 0.0 110.631 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.49 -47.69 12.84 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 124.749 3.633 . . . . 0.0 114.17 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.556 ' CG ' ' CE1' ' C' ' 52' ' ' HIS . 99.1 m-20 -102.13 27.56 6.55 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 116.082 -2.247 . . . . 0.0 108.795 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 67.22 -127.14 26.65 Favored Glycine 0 N--CA 1.496 2.696 0 C-N-CA 117.61 -2.233 . . . . 0.0 109.617 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.548 HD21 HD23 ' D' ' 384' ' ' LEU . 0.8 OUTLIER -130.02 74.92 1.62 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.915 -1.344 . . . . 0.0 109.551 -177.323 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -80.07 175.43 10.65 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.883 -1.527 . . . . 0.0 112.145 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.533 ' OG1' ' O1 ' ' D' ' 200' ' ' PO3 . 63.9 p -22.99 -69.09 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -176.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.423 HH22 ' HB2' ' A' ' 20' ' ' SER . 18.7 ttt180 -44.02 -66.0 0.52 Allowed Pre-proline 0 N--CA 1.493 1.683 0 C-N-CA 120.104 -0.638 . . . . 0.0 112.554 -177.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -64.71 -32.25 57.41 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 121.973 1.782 . . . . 0.0 111.469 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.503 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.83 86.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.208 -0.932 . . . . 0.0 109.47 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.94 -39.69 72.49 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.94 -39.38 94.03 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 117.999 -1.48 . . . . 0.0 109.516 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.68 -45.3 93.42 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.569 1.176 . . . . 0.0 108.692 -177.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.503 HG23 ' O ' ' D' ' 319' ' ' ALA . 61.1 t -62.68 -42.3 95.56 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.645 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.443 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 95.7 mttt -63.85 -40.22 96.07 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.784 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.531 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.66 79.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 109.589 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.01 91.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.571 -1.331 . . . . 0.0 109.444 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.42 -16.09 43.38 Favored 'General case' 0 N--CA 1.511 2.588 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.69 86.03 Favored Glycine 0 N--CA 1.479 1.531 0 O-C-N 119.921 -1.737 . . . . 0.0 109.3 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.417 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.33 143.34 32.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.26 -1.729 . . . . 0.0 110.054 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.0 p -75.67 -29.98 59.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.276 -0.89 . . . . 0.0 112.312 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.73 158.55 10.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.778 -1.826 . . . . 0.0 112.82 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.585 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.29 35.46 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 171.186 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.58 60.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 CA-C-O 122.176 0.989 . . . . 0.0 109.306 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.98 143.23 51.0 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 123.124 1.44 . . . . 0.0 109.973 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.6 t -108.05 129.92 61.43 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.683 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 173.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.0 m -127.44 119.6 26.49 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.831 -1.168 . . . . 0.0 108.971 -178.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.56 122.59 39.24 Favored 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.872 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.79 38.87 24.3 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.908 -1.12 . . . . 0.0 112.752 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.62 11.05 83.54 Favored Glycine 0 N--CA 1.502 3.046 0 O-C-N 119.853 -1.779 . . . . 0.0 112.519 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.88 136.25 54.57 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 105.274 -2.121 . . . . 0.0 105.274 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.73 158.5 33.12 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-O 123.76 1.743 . . . . 0.0 112.46 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.36 31.37 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 112.539 -2.118 . . . . 0.0 108.646 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.55 136.02 48.97 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.429 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.95 -6.87 48.19 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.727 -1.233 . . . . 0.0 110.695 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.44 12.93 31.57 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.61 -1.306 . . . . 0.0 109.392 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.1 t -133.09 104.13 6.36 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 122.206 1.003 . . . . 0.0 110.119 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.44 HD22 ' CE ' ' A' ' 9' ' ' MET . 55.1 tp -57.2 -37.91 72.89 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.985 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -58.84 -51.39 70.2 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.512 -1.368 . . . . 0.0 113.041 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.5 70.7 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 119.538 -1.976 . . . . 0.0 109.225 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.79 75.88 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.888 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.526 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.69 -10.42 52.21 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.63 -0.669 . . . . 0.0 109.883 -177.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.6 p -89.75 -7.74 53.8 Favored 'General case' 0 N--CA 1.501 2.124 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.888 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.404 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.9 mt -93.35 159.31 15.32 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.139 -0.976 . . . . 0.0 110.118 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.83 2.96 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 106.94 -2.464 . . . . 0.0 106.94 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.59 47.41 1.72 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 120.729 -1.453 . . . . 0.0 107.353 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.747 HG22 HG21 ' C' ' 56' ' ' THR . 3.2 p -81.51 172.62 13.27 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.189 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -60.75 140.98 57.38 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.286 -0.966 . . . . 0.0 109.84 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.27 79.1 Favored Glycine 0 N--CA 1.501 3.003 0 C-N-CA 119.996 -1.097 . . . . 0.0 111.384 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.38 135.93 34.09 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.94 -1.329 . . . . 0.0 110.609 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.58 123.78 49.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.485 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.1 m -112.26 160.06 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 C-N-CA 117.347 -1.741 . . . . 0.0 110.611 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.4 m -108.81 128.43 54.89 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.588 -1.32 . . . . 0.0 107.617 175.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.96 121.38 60.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 176.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.27 50.71 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 -179.569 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.33 47.09 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 118.534 -1.267 . . . . 0.0 109.759 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.08 110.78 6.45 Favored 'General case' 0 C--N 1.287 -2.131 0 C-N-CA 118.588 -1.245 . . . . 0.0 108.074 178.212 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.28 40.13 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.047 -2.025 . . . . 0.0 110.378 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.56 82.9 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-N 114.403 -0.899 . . . . 0.0 112.173 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.05 36.72 3.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 115.886 -2.326 . . . . 0.0 108.581 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.33 -33.59 65.75 Favored 'General case' 0 N--CA 1.521 3.1 0 N-CA-C 116.817 2.154 . . . . 0.0 116.817 -174.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.466 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.66 27.37 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 119.541 -1.974 . . . . 0.0 110.918 -176.507 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.759 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.68 97.6 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.5 77.6 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 117.483 -1.687 . . . . 0.0 110.028 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.73 -42.29 89.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 122.173 0.987 . . . . 0.0 109.283 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.83 -47.95 76.32 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 122.074 0.94 . . . . 0.0 108.712 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.759 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.72 -38.38 76.87 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.753 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.2 mt -75.55 -28.65 59.1 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.447 -1.408 . . . . 0.0 110.904 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.41 -39.54 71.62 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.27 62.93 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.531 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.22 -45.23 84.05 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.557 177.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.485 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.3 85.19 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.881 -1.137 . . . . 0.0 111.536 -177.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.81 61.6 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.062 -1.023 . . . . 0.0 110.26 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.89 -32.37 45.78 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.49 -0.756 . . . . 0.0 111.335 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.548 HD23 HD21 ' D' ' 314' ' ' LEU . 0.0 OUTLIER -49.99 125.44 12.08 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 124.317 2.008 . . . . 0.0 112.917 178.674 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.4 mm-40 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.181 -2.736 . . . . 0.0 110.17 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.651 ' O1 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -57.74 -37.32 73.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.2 mt-10 -62.39 -68.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.9 mt -38.21 -39.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.471 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.8 -47.1 79.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.835 0.35 . . . . 1.9399999999999999 110.274 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.6 mt-10 -67.22 -37.17 83.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.303 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 58' ' ' LEU . 72.1 t -63.53 -42.72 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.396 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 4' ' ' LEU . 93.5 t -60.22 -44.8 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.928 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.45 -42.14 91.27 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.518 -0.549 . . . . 0.17999999999999999 109.518 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.77 97.8 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 11' ' ' LEU . 36.5 mt -63.24 -42.39 99.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 110.247 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.97 -44.46 99.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.20000000000000001 109.763 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' D' ' 320' ' ' ALA . 90.5 mt -63.43 -43.84 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 0.01 109.987 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.492 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.8 t-20 -60.27 -46.32 90.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.785 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.8 p -59.27 -43.2 92.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.978 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.42 99.68 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.01 -42.73 99.89 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.68 76.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -60.52 -46.33 90.54 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -55.14 -44.85 75.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.97 -42.64 99.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.79 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.651 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.5 -50.25 74.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.44 -42.51 92.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.614 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.23 -42.3 90.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.765 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.79 84.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.641 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.41 -45.35 94.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.459 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.68 ' HZ3' HE21 ' A' ' 31' ' ' GLN . 66.1 tttm -55.63 -43.17 75.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.2 mt-30 -61.66 -41.6 97.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.757 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.75 92.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.699 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.75 -28.98 69.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.146 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.68 HE21 ' HZ3' ' A' ' 27' ' ' LYS . 88.5 mt-30 -79.77 -4.51 52.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.373 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.87 13.46 69.4 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.9 79.54 2.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -64.86 -35.12 80.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.702 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.74 82.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.019 0.437 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -66.07 -35.16 79.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.386 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -48.07 80.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.599 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.01 -42.44 99.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.584 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.23 99.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.65 -40.63 92.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.88 -41.08 99.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -62.47 -44.23 96.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.994 0.426 . . . . 0.0 110.537 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.21 -41.68 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.227 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -60.55 -45.65 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.05 -42.48 98.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.3 tpp -60.98 -43.71 98.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.224 0.535 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.36 99.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.218 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.92 -39.5 90.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -61.37 -41.79 97.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.325 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -65.65 -39.34 91.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.148 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.492 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.68 -43.34 80.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.465 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -62.7 -37.98 88.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.022 -0.535 . . . . 0.089999999999999997 110.325 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 53' ' ' LEU . 39.3 mt -61.29 -44.53 97.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.322 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.31 -43.01 95.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.044 0.45 . . . . 0.0 110.061 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.644 HE21 ' CD2' ' A' ' 74' ' ' LEU . 46.1 tp60 -60.47 -42.82 97.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.256 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 m -56.86 -42.91 80.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.059999999999999998 110.055 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.67 -41.02 96.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.535 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.502 HD22 ' CD2' ' A' ' 4' ' ' LEU . 95.1 mt -67.38 -37.39 83.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.563 HG23 HG12 ' A' ' 70' ' ' VAL . 94.5 mt -68.5 -39.29 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.050000000000000003 110.908 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -79.69 -15.06 58.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.9 -21.39 28.38 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 64' ' ' GLY . 96.9 m-20 -95.32 -22.13 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 77.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.563 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -72.64 148.55 42.03 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -72.19 116.01 12.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.743 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.09 -7.0 78.97 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' MET . 68.8 mttm -100.25 147.16 26.05 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.762 0.315 . . . . 0.0 110.443 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.475 ' O ' ' O ' ' A' ' 69' ' ' LYS . 67.4 mtt -38.65 157.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.641 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.592 ' HG2' HG13 ' A' ' 70' ' ' VAL . 48.8 tttp -40.64 -97.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.849 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.592 HG13 ' HG2' ' A' ' 69' ' ' LYS . 22.8 m -87.27 -149.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.692 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' A' ' 74' ' ' LEU . 11.1 p -136.07 171.76 13.99 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.5 HD23 ' SD ' ' C' ' 68' ' ' MET . 54.7 tp -56.66 -46.73 80.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.644 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG1' HG21 ' A' ' 8' ' ' VAL . 54.6 t -62.54 -44.99 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.879 0.371 . . . . 0.0 110.554 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.644 ' CD2' HE21 ' A' ' 55' ' ' GLN . 31.8 mt -61.2 -40.18 92.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.012 0.434 . . . . 0.11 110.904 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 71' ' ' SER . 45.3 t -58.89 -47.01 90.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.816 -0.629 . . . . 0.38 110.225 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.88 -46.47 87.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.773 0.32 . . . . 0.0 110.309 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -62.75 -43.39 98.92 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.53 -0.305 . . . . 0.059999999999999998 110.641 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.502 HE21 HD11 ' A' ' 59' ' ' ILE . 85.6 mt-30 -61.82 -39.15 90.79 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.249 -0.432 . . . . 1.0900000000000001 110.201 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 83' ' ' THR . 38.6 tp -56.62 -46.56 80.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.33 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.627 ' CE1' ' O1 ' ' D' ' 200' ' ' PO3 . 87.3 m-70 -67.07 -45.97 75.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.355 -0.384 . . . . 0.080000000000000002 110.685 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.03 -45.99 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.853 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.76 -42.02 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.227 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.2 p -64.41 -46.61 82.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.1 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 m -62.23 -48.75 78.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.99 -48.26 80.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.488 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.33 -45.02 96.18 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.06 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.78 83.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.844 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -58.55 -45.43 88.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.161 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.62 -43.66 98.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.093 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.47 -42.68 95.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 0.0 109.884 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.651 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.1 mt -60.17 -42.05 88.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.314 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.5 -46.08 84.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.962 0.41 . . . . 0.0 109.895 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.52 -43.84 97.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.599 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.554 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.4 mt -59.24 -43.62 92.38 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.17 -42.54 93.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.426 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.22 -39.96 92.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 109.759 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.43 -41.59 98.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.818 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.554 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.7 m80 -59.5 -40.25 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.27 -40.91 97.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.157 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.09 -38.31 90.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.177 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.56 -41.83 96.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.365 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -80.59 141.95 34.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.514 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.6 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -57.59 -37.39 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.574 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -62.08 -69.23 0.26 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.466 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.736 ' O ' HG23 ' B' ' 8' ' ' VAL . 98.2 mt -38.16 -38.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.418 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.89 -47.06 79.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 1.9399999999999999 110.38 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.9 mt-10 -67.15 -37.28 83.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.116 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.488 HG11 HD11 ' B' ' 58' ' ' LEU . 72.0 t -63.53 -42.53 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 4' ' ' LEU . 93.5 t -60.49 -44.71 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.845 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.8 mtp -59.54 -42.45 92.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.55 -0.537 . . . . 0.17999999999999999 109.55 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.22 97.96 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 11' ' ' LEU . 36.7 mt -62.68 -42.46 99.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.813 0.34 . . . . 0.0 110.404 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.417 ' O ' ' OG ' ' B' ' 15' ' ' SER . 92.5 mt -63.07 -44.41 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.28999999999999998 109.708 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.37 -43.99 98.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.02 109.907 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.8 t-20 -60.11 -46.16 90.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.89 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 12' ' ' ILE . 78.1 p -59.34 -43.07 92.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.125 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.15 -41.84 99.61 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -63.51 -42.99 98.48 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.0 74.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.861 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.2 -46.42 89.8 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -55.03 -44.97 75.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.98 -42.91 99.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.683 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.631 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.25 -50.21 74.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.61 -42.15 91.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.671 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.34 92.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.754 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.66 83.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.669 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.53 -45.69 93.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.361 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.654 ' NZ ' ' NE2' ' B' ' 31' ' ' GLN . 66.1 tttm -55.57 -42.86 75.33 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.433 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.1 mt-30 -61.74 -41.57 97.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.833 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.43 93.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.724 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.86 -29.27 70.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.022 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.654 ' NE2' ' NZ ' ' B' ' 27' ' ' LYS . 88.5 mt-30 -79.59 -4.41 51.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.66 13.58 69.71 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -97.92 79.44 2.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 110.319 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -64.91 -35.02 79.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.608 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.08 80.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.763 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.433 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.69 -35.21 80.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.397 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.01 80.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.571 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.05 -42.55 99.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.569 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.52 99.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.44 -41.0 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 4.3 mmt -62.5 -41.43 98.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.538 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.98 -44.51 96.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.03 -41.53 99.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.245 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -60.91 -45.42 94.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.22 -42.52 98.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpp -60.72 -43.98 97.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.277 0.561 . . . . 0.0 110.649 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.33 99.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 48' ' ' LEU . 94.6 mt -65.76 -40.13 91.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.402 ' HA ' HD22 ' B' ' 49' ' ' ASN . 9.7 m120 -60.66 -42.16 96.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.332 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.34 -39.63 92.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.14 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.482 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.46 -43.41 81.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.464 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -62.54 -38.12 88.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.066 -0.515 . . . . 0.089999999999999997 110.326 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 53' ' ' LEU . 39.5 mt -61.18 -44.33 97.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.318 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.61 -43.33 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.074 0.464 . . . . 0.0 110.026 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.653 HE21 ' CD2' ' B' ' 74' ' ' LEU . 46.4 tp60 -60.04 -42.88 95.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.239 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 12.5 m -56.94 -43.26 81.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.059999999999999998 109.986 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.36 -40.87 95.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.924 0.392 . . . . 0.0 110.525 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.508 HD22 ' CD2' ' B' ' 4' ' ' LEU . 95.1 mt -67.6 -37.35 82.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.535 HD11 HE21 ' B' ' 78' ' ' GLN . 95.1 mt -68.51 -39.26 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.169 -0.469 . . . . 0.040000000000000001 110.745 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -79.84 -15.18 57.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.529 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.88 -21.16 29.01 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' B' ' 64' ' ' GLY . 97.0 m-20 -95.36 -22.47 17.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.321 . . . . 0.0 110.535 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.5 77.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.413 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . -73.38 148.83 41.24 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -72.19 116.48 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.594 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.67 -6.47 79.97 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' B' ' 68' ' ' MET . 68.9 mttm -100.74 147.33 26.15 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.677 0.275 . . . . 0.0 110.459 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . 0.473 ' O ' ' O ' ' B' ' 69' ' ' LYS . 67.7 mtt -38.94 156.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.651 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.546 ' HG2' HG13 ' B' ' 70' ' ' VAL . 47.9 tttp -40.47 -98.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.546 HG13 ' HG2' ' B' ' 69' ' ' LYS . 22.7 m -85.44 -150.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.771 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 75' ' ' VAL . 19.3 p -135.77 172.87 12.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.583 -178.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.05 -46.23 88.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.492 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.474 ' CG1' HG21 ' B' ' 8' ' ' VAL . 54.5 t -62.0 -44.41 98.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.598 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.653 ' CD2' HE21 ' B' ' 55' ' ' GLN . 33.3 mt -61.43 -39.56 91.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.11 110.975 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 71' ' ' SER . 45.6 t -59.12 -47.32 90.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.775 -0.648 . . . . 0.38 110.295 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.664 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 59.4 t-80 -58.94 -46.18 88.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.86 -0.336 . . . . 1.1100000000000001 110.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.469 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -62.91 -43.0 99.98 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.864 0.364 . . . . 0.059999999999999998 110.399 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.535 HE21 HD11 ' B' ' 59' ' ' ILE . 85.8 mt-30 -62.41 -38.82 91.12 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.115 -0.493 . . . . 1.0900000000000001 110.267 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.492 ' O ' HG23 ' B' ' 83' ' ' THR . 39.9 tp -57.08 -46.43 82.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.401 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.664 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 86.9 m-70 -66.97 -45.83 76.49 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.787 -0.365 . . . . 0.080000000000000002 110.69 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.38 -45.98 92.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -61.49 -42.75 99.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.259 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.492 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.0 p -63.68 -46.63 84.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.18 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -62.07 -48.73 78.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -58.16 -48.13 81.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.444 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.38 -44.9 96.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.08 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.82 -47.81 83.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.862 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.4 -45.27 88.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.202 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.91 -43.59 98.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.183 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.48 -42.47 95.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.102 0.477 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.631 HD12 ' HB1' ' B' ' 22' ' ' ALA . 73.7 mt -60.27 -42.15 89.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.191 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.52 -45.85 84.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.072 0.463 . . . . 0.0 109.86 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -62.84 -43.68 98.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.473 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.572 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.4 mt -59.33 -43.15 92.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.87 -42.54 95.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.488 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.98 -40.28 92.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 97' ' ' LEU . 81.6 mt -62.2 -41.91 98.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.867 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.6 m80 -59.25 -40.27 85.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.23 -40.88 97.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.047 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.13 -38.31 90.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.201 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.6 mt -64.48 -41.76 96.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.391 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -80.85 141.91 34.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.524 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.59 -37.69 73.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.598 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.1 mt-10 -61.84 -69.24 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.375 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.751 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.6 mt -38.22 -38.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.416 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.86 -47.02 79.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.857 0.361 . . . . 1.9399999999999999 110.343 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.3 mt-10 -67.13 -37.16 83.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.277 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.47 HG11 HD11 ' C' ' 58' ' ' LEU . 70.9 t -63.67 -42.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.751 HG23 ' O ' ' C' ' 4' ' ' LEU . 92.2 t -60.64 -44.64 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.925 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.2 mtp -59.73 -41.96 92.09 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.565 -0.531 . . . . 0.17999999999999999 109.565 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.3 -42.37 97.82 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' C' ' 11' ' ' LEU . 36.6 mt -62.71 -42.46 99.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.397 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.422 ' O ' ' OG ' ' C' ' 15' ' ' SER . 93.1 mt -63.01 -44.38 99.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.29999999999999999 109.677 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.36 -43.67 98.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.011 -0.54 . . . . 0.02 110.084 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.477 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 50.7 t-20 -60.74 -45.72 93.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.789 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' C' ' 12' ' ' ILE . 78.3 p -59.43 -43.31 93.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.123 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.26 99.71 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.23 -42.56 99.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.68 76.6 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -60.68 -46.17 91.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -55.26 -44.86 75.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.05 -42.66 99.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.686 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.647 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.56 -50.18 74.9 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.39 -42.29 91.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.492 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.28 92.25 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.71 84.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.593 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.38 -45.85 92.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.46 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . 0.668 ' NZ ' ' NE2' ' C' ' 31' ' ' GLN . 66.0 tttm -55.35 -43.29 74.88 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.437 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.5 mt-30 -61.53 -41.78 97.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.865 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.73 91.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.771 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.9 -29.01 69.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.091 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.668 ' NE2' ' NZ ' ' C' ' 27' ' ' LYS . 88.9 mt-30 -79.48 -4.79 52.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.09 13.47 68.83 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.9 79.11 2.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.71 0.29 . . . . 0.0 110.331 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -64.74 -35.12 80.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.532 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.82 81.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.011 0.434 . . . . 0.0 110.642 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . 0.437 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.79 -35.31 80.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.11 79.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.8 -42.8 99.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.72 99.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.38 -40.93 94.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.494 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.85 -40.93 98.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.651 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.4 -44.43 96.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.483 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.99 -41.77 99.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.262 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -60.63 -45.34 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.525 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.38 -42.36 98.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.297 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 9.1 tpp -60.92 -44.21 97.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.332 0.587 . . . . 0.0 110.541 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.84 99.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.318 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' C' ' 48' ' ' LEU . 94.5 mt -65.43 -40.01 92.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.769 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -61.16 -41.92 97.63 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.364 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.4 -39.72 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.008 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.477 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.1 -43.7 81.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.421 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.532 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 62.0 t-80 -62.36 -37.97 87.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.089999999999999997 110.336 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.54 -44.27 97.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.303 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.36 -43.37 94.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.033 0.444 . . . . 0.0 109.92 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.649 HE21 ' CD2' ' C' ' 74' ' ' LEU . 46.3 tp60 -60.11 -43.25 95.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.215 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.818 HG21 HG22 ' D' ' 356' ' ' THR . 11.1 m -56.5 -43.04 79.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.059999999999999998 110.197 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.86 -40.38 95.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.956 0.408 . . . . 0.0 110.512 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' C' ' 4' ' ' LEU . 95.4 mt -67.83 -36.99 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.785 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.533 HD11 HE21 ' C' ' 78' ' ' GLN . 96.5 mt -68.8 -39.33 79.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.971 -0.559 . . . . 0.059999999999999998 110.876 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.524 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.3 mm-40 -79.79 -14.97 58.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.505 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.75 -21.41 28.71 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' C' ' 64' ' ' GLY . 97.1 m-20 -95.27 -22.38 17.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.77 0.319 . . . . 0.0 110.458 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.51 77.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.411 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' C' ' 62' ' ' ASP . . . -72.79 148.62 41.9 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.14 116.74 12.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.576 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.49 -6.38 80.44 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' C' ' 68' ' ' MET . 68.9 mttm -100.7 147.5 25.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.619 0.247 . . . . 0.0 110.568 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . 0.5 ' SD ' HD23 ' A' ' 72' ' ' LEU . 67.2 mtt -39.36 157.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.571 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.527 ' HG2' HG13 ' C' ' 70' ' ' VAL . 47.8 tttp -40.65 -97.95 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.527 HG13 ' HG2' ' C' ' 69' ' ' LYS . 22.6 m -85.63 -151.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.784 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.416 ' O ' HG23 ' C' ' 75' ' ' VAL . 21.3 p -135.02 174.71 10.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.485 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 42.3 tp -58.82 -46.72 86.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.697 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.415 ' CG1' HG21 ' C' ' 8' ' ' VAL . 55.0 t -63.15 -44.68 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 130.077 3.351 . . . . 0.0 110.558 -178.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.649 ' CD2' HE21 ' C' ' 55' ' ' GLN . 38.5 mt -63.24 -39.18 93.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.077 0.465 . . . . 0.11 111.087 177.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 71' ' ' SER . 45.7 t -59.83 -47.47 91.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.726 -0.67 . . . . 0.40000000000000002 110.221 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.649 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 59.4 t-80 -59.38 -46.1 89.6 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.893 -0.323 . . . . 1.02 110.292 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.47 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -62.7 -43.48 98.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.851 0.358 . . . . 0.059999999999999998 110.421 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.533 HE21 HD11 ' C' ' 59' ' ' ILE . 85.4 mt-30 -62.05 -38.97 90.75 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.17 -0.468 . . . . 1.0900000000000001 110.238 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' C' ' 83' ' ' THR . 38.3 tp -56.85 -46.51 81.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.493 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.649 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 87.1 m-70 -67.0 -45.91 76.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.415 . . . . 0.080000000000000002 110.764 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.11 -45.94 92.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.83 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.68 -42.21 98.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.373 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' C' ' 79' ' ' LEU . 23.0 p -64.27 -46.85 81.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.175 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.8 m -61.65 -48.92 78.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.92 -48.6 79.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.502 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.99 -45.18 95.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.171 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.4 -48.12 81.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.962 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -58.1 -45.69 86.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.216 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.27 -44.01 97.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.13 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.16 -42.87 96.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.185 0.517 . . . . 0.0 110.015 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.647 HD12 ' HB1' ' C' ' 22' ' ' ALA . 75.0 mt -60.04 -42.14 88.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.385 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.47 -45.9 84.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.067 0.46 . . . . 0.0 109.936 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.63 -44.19 96.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.497 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.3 mt -58.88 -43.37 90.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.283 0.563 . . . . 0.0 109.524 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.41 -43.09 96.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.574 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.22 -40.62 90.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.08 0.466 . . . . 0.0 109.796 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 97' ' ' LEU . 81.0 mt -61.93 -41.75 98.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.905 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.0 m80 -59.58 -40.18 86.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.744 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.21 -40.71 97.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.045 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.19 -38.32 90.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.69 -41.74 95.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.35 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -80.66 141.78 34.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.47 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.551 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 121.866 0.841 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.81 143.03 36.66 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.27 38.45 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.992 -1.067 . . . . 0.0 109.593 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.06 149.15 28.51 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.19 152.28 18.98 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.062 -1.024 . . . . 0.0 108.425 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.8 144.29 19.31 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.58 136.59 36.89 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.12 0.962 . . . . 0.0 110.142 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.32 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.91 -4.27 19.32 Favored 'General case' 0 C--N 1.266 -3.052 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.816 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.44 141.75 85.9 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.664 -1.897 . . . . 0.0 110.666 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.42 -47.67 12.73 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 124.732 3.621 . . . . 0.0 114.223 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.532 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 97.6 m-20 -102.1 27.46 6.61 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 116.058 -2.257 . . . . 0.0 108.842 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.44 -126.4 27.78 Favored Glycine 0 N--CA 1.496 2.646 0 C-N-CA 117.713 -2.184 . . . . 0.0 109.595 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.57 78.0 1.81 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.95 -1.324 . . . . 0.0 109.563 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -84.52 176.84 8.37 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 117.851 -1.54 . . . . 0.0 112.095 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.522 ' OG1' ' O1 ' ' D' ' 200' ' ' PO3 . 77.1 p -23.34 -69.95 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.24 2.311 . . . . 0.0 117.24 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -45.73 -65.58 0.64 Allowed Pre-proline 0 N--CA 1.492 1.654 0 C-N-CA 120.193 -0.603 . . . . 0.0 112.514 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.57 -32.25 59.0 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.591 1.527 . . . . 0.0 111.501 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.474 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.9 86.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.227 -0.92 . . . . 0.0 109.471 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.85 -39.77 72.73 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.99 -39.35 93.93 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.906 -1.517 . . . . 0.0 109.47 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.66 -45.39 93.03 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 122.627 1.203 . . . . 0.0 108.648 -177.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.474 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.1 t -62.57 -42.29 95.34 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.222 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.681 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -63.81 -40.33 96.37 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.24 -0.912 . . . . 0.0 109.842 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.68 80.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.477 -0.765 . . . . 0.0 109.641 177.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.96 91.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.63 -1.294 . . . . 0.0 109.466 178.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.31 -16.28 44.18 Favored 'General case' 0 N--CA 1.51 2.565 0 O-C-N 121.303 -0.873 . . . . 0.0 113.251 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.56 86.13 Favored Glycine 0 N--CA 1.479 1.566 0 O-C-N 119.919 -1.738 . . . . 0.0 109.278 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.36 32.82 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.192 -1.77 . . . . 0.0 110.022 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.7 p -75.61 -30.06 59.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.259 -0.9 . . . . 0.0 112.31 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.88 158.55 10.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 119.778 -1.826 . . . . 0.0 112.802 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.589 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.92 130.26 35.41 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 102.853 -3.017 . . . . 0.0 102.853 171.292 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.58 60.4 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.373 0 CA-C-O 122.197 0.999 . . . . 0.0 109.281 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.87 143.22 50.95 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 123.009 1.385 . . . . 0.0 110.058 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.13 129.94 61.52 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.738 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 173.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 71.4 m -127.43 119.48 26.24 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.757 -1.214 . . . . 0.0 109.043 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.45 122.55 39.23 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.528 -0.733 . . . . 0.0 109.933 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.89 24.23 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.841 -1.162 . . . . 0.0 112.761 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.74 11.0 83.47 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 119.985 -1.697 . . . . 0.0 112.455 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.81 136.33 54.51 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 177.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.89 158.53 33.28 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-O 123.826 1.774 . . . . 0.0 112.433 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.65 151.36 31.38 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 112.515 -2.129 . . . . 0.0 108.599 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.58 135.96 48.87 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 173.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.9 -6.8 47.6 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.727 -1.233 . . . . 0.0 110.744 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.51 12.97 31.58 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.703 -1.248 . . . . 0.0 109.4 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.9 t -133.1 104.11 6.36 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.134 0.968 . . . . 0.0 110.128 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.22 -37.86 72.9 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.948 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -58.88 -51.42 70.11 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.558 -1.339 . . . . 0.0 113.045 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.49 70.66 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 119.526 -1.984 . . . . 0.0 109.149 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.8 -33.61 75.57 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 118.877 -1.129 . . . . 0.0 109.997 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.524 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.73 -10.4 52.2 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.676 -0.64 . . . . 0.0 109.96 -177.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 38.1 p -89.8 -7.72 53.74 Favored 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 118.167 -1.413 . . . . 0.0 110.945 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.4 159.36 15.28 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.137 -0.977 . . . . 0.0 110.126 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.73 104.9 2.97 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 106.857 -2.497 . . . . 0.0 106.857 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . 0.436 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.5 mt -119.63 47.39 1.72 Allowed 'General case' 0 C--N 1.308 -1.211 0 O-C-N 120.668 -1.489 . . . . 0.0 107.409 -178.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.818 HG22 HG21 ' C' ' 56' ' ' THR . 2.4 p -81.41 172.56 13.39 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.814 -1.155 . . . . 0.0 109.192 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.79 140.9 57.45 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 119.341 -0.943 . . . . 0.0 109.79 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.52 -3.28 78.72 Favored Glycine 0 N--CA 1.499 2.896 0 C-N-CA 119.949 -1.119 . . . . 0.0 111.363 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.4 135.94 34.07 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.909 -1.348 . . . . 0.0 110.615 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.58 123.69 48.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.49 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.14 160.13 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 C-N-CA 117.322 -1.751 . . . . 0.0 110.665 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.0 m -108.89 128.34 54.83 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.56 -1.337 . . . . 0.0 107.609 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.9 121.39 60.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.25 50.71 Favored 'General case' 0 C--N 1.286 -2.179 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.46 47.22 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 118.497 -1.281 . . . . 0.0 109.747 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.84 6.44 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 118.529 -1.268 . . . . 0.0 108.031 178.151 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.23 -170.32 40.15 Favored Glycine 0 C--N 1.295 -1.706 0 C-N-CA 118.055 -2.021 . . . . 0.0 110.383 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.34 -40.72 82.89 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-N 114.414 -0.893 . . . . 0.0 112.158 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -113.97 36.76 3.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 118.967 -2.333 . . . . 0.0 108.544 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.32 -33.64 65.78 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -174.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.464 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.84 -45.64 27.74 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.54 -1.975 . . . . 0.0 110.95 -176.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.833 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.78 97.85 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.58 77.35 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.514 -1.675 . . . . 0.0 110.042 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.86 -42.27 88.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 CA-C-O 122.171 0.986 . . . . 0.0 109.183 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.88 -47.84 76.65 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-O 122.029 0.919 . . . . 0.0 108.774 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.833 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.81 -38.3 76.56 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.69 -178.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.7 mt -75.65 -28.63 58.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.369 -1.457 . . . . 0.0 110.836 -174.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.49 -39.49 70.89 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.454 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.22 63.06 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.19 -45.21 83.95 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.061 -1.056 . . . . 0.0 110.569 177.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.49 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.44 -37.3 85.33 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.876 -1.14 . . . . 0.0 111.536 -177.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.97 -31.77 61.54 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.031 -1.043 . . . . 0.0 110.191 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.88 -32.33 45.81 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.52 -0.737 . . . . 0.0 111.317 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -49.98 125.45 12.07 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 124.266 1.984 . . . . 0.0 112.874 178.686 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.816 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 71.3 tt0 . . . . . 0 C--N 1.277 -2.569 0 CA-C-N 111.153 -2.748 . . . . 0.0 110.121 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.627 ' O1 ' ' CE1' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.33 139.01 58.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.523 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' GLU . 78.8 mm-40 -61.68 136.81 58.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.495 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 8' ' ' VAL . 93.6 mt -37.73 -37.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -46.13 83.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.972 0.415 . . . . 1.9399999999999999 110.421 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 3' ' ' GLU . 78.9 mm-40 -68.67 -34.79 76.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.246 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.73 -42.85 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.389 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.625 HG21 HG13 ' A' ' 73' ' ' VAL . 75.2 t -61.43 -43.5 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.944 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -58.96 -42.31 89.58 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.52 -0.548 . . . . 0.17999999999999999 109.52 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -41.67 97.65 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -43.03 99.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.245 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.95 -43.88 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.20000000000000001 109.781 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.455 HD11 ' HB1' ' D' ' 320' ' ' ALA . 88.5 mt -64.08 -44.4 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.01 109.948 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.512 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 47.5 t-20 -60.92 -47.01 88.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.74 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.0 m -59.35 -43.43 92.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.043 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.414 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -63.54 -42.12 98.98 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -64.3 -44.55 91.3 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.31 77.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.851 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -60.41 -46.97 88.1 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -54.49 -43.73 72.03 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.19 -42.28 99.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.705 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.78 -49.74 76.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -60.03 -42.3 94.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.538 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.3 93.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.745 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.58 85.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.64 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -45.37 94.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.442 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.47 -42.15 73.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.32 -41.48 97.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.771 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.71 94.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.787 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.49 -29.22 69.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.182 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.45 -4.67 54.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.489 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.71 14.67 69.75 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.34 79.34 2.52 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.737 0.303 . . . . 0.0 110.304 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -64.28 -34.64 78.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.699 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.5 -49.07 76.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.062 0.458 . . . . 0.0 110.753 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.21 80.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.366 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.04 80.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.27 -42.28 99.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.525 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.64 98.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mmm -65.35 -40.8 94.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.498 ' O ' ' OG ' ' A' ' 44' ' ' SER . 91.1 mmm -63.01 -41.12 99.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.681 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.73 -43.35 99.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.013 0.435 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.06 -40.52 97.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.167 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.498 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.94 -45.57 93.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.549 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 70.8 ttt180 -60.07 -42.44 94.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.32 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 89.5 mmm -61.55 -42.72 99.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.235 0.54 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.95 95.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.215 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.37 -39.86 92.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.624 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' A' ' 49' ' ' ASN . 9.0 m120 -61.14 -41.53 96.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.266 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.56 -39.65 91.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.186 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.512 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -68.09 -45.26 74.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.481 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.14 -39.44 90.06 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.089999999999999997 110.385 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.4 mt -60.26 -44.17 95.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.358 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.8 -43.32 93.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.062 0.458 . . . . 0.0 110.031 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' NE2' HD23 ' A' ' 74' ' ' LEU . 67.6 tp60 -59.74 -43.96 94.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.314 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -56.44 -42.71 78.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.059999999999999998 110.062 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.58 -40.37 91.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.399 . . . . 0.0 110.52 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.47 HD22 HD22 ' A' ' 4' ' ' LEU . 97.1 mt -65.53 -37.8 87.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.642 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.2 mt -73.54 -37.07 49.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.050000000000000003 110.851 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -80.36 -14.85 58.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.37 -20.11 23.65 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -93.07 -25.69 17.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.802 0.334 . . . . 0.0 110.578 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.51 88.99 5.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.44 -177.53 37.17 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -72.37 117.92 14.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.704 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.76 1.19 89.2 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -102.8 147.69 26.55 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.782 0.325 . . . . 0.0 110.426 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.5 mtm -76.03 142.94 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -87.68 -8.55 55.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.17 115.67 38.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.755 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.9 p -128.65 161.22 30.16 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.588 ' HG ' HD21 ' B' ' 72' ' ' LEU . 20.8 mt -58.06 -45.77 86.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.625 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.625 HG13 HG21 ' A' ' 8' ' ' VAL . 76.4 t -64.89 -47.53 87.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.856 0.36 . . . . 0.0 110.503 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD23 ' NE2' ' A' ' 55' ' ' GLN . 87.6 mt -64.07 -43.02 96.7 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.027 0.441 . . . . 0.11 110.936 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 71' ' ' SER . 55.6 t -59.96 -46.85 93.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.802 -0.636 . . . . 0.38 110.167 -179.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.18 -46.32 90.11 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.272 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.41 96.34 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.772 0.32 . . . . 0.059999999999999998 110.658 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.04 -38.81 90.15 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.222 -0.444 . . . . 1.0900000000000001 110.175 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 83' ' ' THR . 42.8 tp -55.98 -46.82 78.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.378 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -67.24 -45.93 75.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.337 -0.392 . . . . 0.080000000000000002 110.74 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.22 -46.23 91.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.813 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.91 -43.08 99.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.176 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.3 p -63.78 -45.92 87.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.098 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.4 t -62.88 -48.94 76.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.458 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.673 ' CE ' HH12 ' B' ' 19' ' ' ARG . 51.6 ttp -57.92 -47.67 82.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.591 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.61 -44.71 96.49 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.088 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.51 -48.14 80.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 70.1 ttt-85 -58.85 -45.3 90.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.123 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 85' ' ' MET . 1.2 mp0 -60.69 -44.13 96.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.085 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.26 -42.58 96.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.192 0.52 . . . . 0.0 109.889 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 77.0 mt -59.93 -41.47 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.208 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.479 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 99.0 m -57.2 -45.93 83.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.066 0.46 . . . . 0.0 109.906 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.62 -43.49 96.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.612 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.7 mt -59.68 -43.98 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.37 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.54 -43.04 96.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.518 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.38 -40.16 89.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 97' ' ' LEU . 84.2 mt -62.74 -42.23 99.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.886 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.567 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 67.6 m80 -59.65 -40.34 87.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 102' ' ' LYS . 83.8 tt0 -62.49 -40.63 97.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.139 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.58 -38.69 91.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.32 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.35 -41.73 96.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.439 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 99' ' ' GLU . 64.8 mttp -91.89 141.82 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.5 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.551 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.03 138.95 58.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.552 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.2 mm-40 -61.79 136.94 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.458 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.579 ' O ' HG23 ' B' ' 8' ' ' VAL . 94.0 mt -37.75 -37.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.529 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.0 -46.18 82.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.946 0.403 . . . . 1.9399999999999999 110.32 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 3' ' ' GLU . 79.0 mm-40 -68.61 -34.72 76.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.211 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.1 t -63.99 -42.67 96.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.382 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.614 HG21 HG13 ' B' ' 73' ' ' VAL . 76.4 t -61.63 -43.23 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.933 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.12 -42.3 90.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.577 -0.527 . . . . 0.17999999999999999 109.577 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.01 -41.39 97.3 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.154 -1.179 . . . . 0.0 110.154 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.93 -42.94 99.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.01 -44.04 99.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.997 -0.547 . . . . 0.28999999999999998 109.693 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.93 -44.5 97.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.963 -0.562 . . . . 0.02 109.885 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 47.6 t-20 -60.9 -46.8 89.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.86 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.7 m -59.37 -43.53 92.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.109 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -42.03 99.13 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -64.39 -44.58 90.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.27 77.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.925 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.673 HH12 ' CE ' ' A' ' 85' ' ' MET . 73.1 ttt180 -60.5 -46.98 88.15 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.5 m -54.57 -43.46 72.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.32 -42.4 98.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.706 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -59.86 -49.83 76.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.86 -42.5 93.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.639 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.55 92.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.68 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -42.72 85.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.599 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.23 -45.62 93.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.286 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -55.42 -41.99 73.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.4 -41.41 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.872 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.83 94.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.78 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.46 -29.3 69.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.031 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.51 -4.46 53.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.373 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.42 14.67 70.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -98.16 79.46 2.58 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.755 0.312 . . . . 0.0 110.36 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -64.65 -34.55 78.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.567 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.96 77.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 0.0 110.762 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.16 -34.88 79.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.391 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.16 79.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.14 -42.65 99.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.549 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.61 99.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.697 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.66 -40.7 92.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.479 ' O ' ' OG ' ' B' ' 44' ' ' SER . 91.0 mmm -63.18 -41.02 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.554 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -62.84 -43.29 99.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -63.03 -40.74 98.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.247 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.1 p -61.69 -45.49 93.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.473 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -60.38 -42.22 95.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.323 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.57 -43.01 99.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.312 0.577 . . . . 0.0 110.647 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.02 95.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.166 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.19 -40.1 93.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.716 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -61.0 -41.72 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.285 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.37 -39.71 92.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.153 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.505 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.91 -45.72 73.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.482 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -60.56 -39.6 88.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.089999999999999997 110.28 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 53' ' ' LEU . 39.5 mt -60.3 -44.28 95.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.326 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.66 -43.57 93.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.016 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.403 ' NE2' HD23 ' B' ' 74' ' ' LEU . 67.3 tp60 -59.5 -44.09 93.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.313 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.9 m -56.18 -43.01 78.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.059999999999999998 110.026 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.68 -39.89 90.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.94 0.4 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' B' ' 4' ' ' LEU . 98.7 mt -65.86 -38.02 87.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.16 -37.07 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.038 -0.528 . . . . 0.040000000000000001 110.764 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -80.54 -15.22 57.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.554 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.75 -20.45 24.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -93.06 -25.5 17.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.563 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.91 89.52 5.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.411 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.59 -176.94 37.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -72.71 117.86 14.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.612 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.74 1.61 89.44 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -102.9 148.25 25.89 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.676 0.274 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.6 mtm -77.02 143.21 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.64 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -87.92 -7.94 56.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.762 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 48.4 t -99.69 115.25 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.579 ' O ' HG23 ' B' ' 75' ' ' VAL . 11.7 p -128.26 162.92 25.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.584 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.616 ' HG ' HD21 ' C' ' 72' ' ' LEU . 20.8 mt -60.16 -45.47 92.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.557 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.614 HG13 HG21 ' B' ' 8' ' ' VAL . 73.2 t -63.99 -47.01 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.612 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.403 HD23 ' NE2' ' B' ' 55' ' ' GLN . 87.6 mt -64.53 -42.35 95.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.096 0.474 . . . . 0.11 110.957 -178.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 71' ' ' SER . 55.5 t -60.3 -46.92 94.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.835 -0.62 . . . . 0.38 110.314 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -60.13 -46.59 89.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.883 -0.327 . . . . 1.1100000000000001 110.287 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.22 94.19 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.907 0.384 . . . . 0.059999999999999998 110.384 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.18 -39.04 88.66 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.2 -0.455 . . . . 1.0900000000000001 110.272 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 83' ' ' THR . 42.3 tp -55.96 -46.75 78.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.341 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -67.21 -46.0 75.16 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.8 -0.36 . . . . 0.080000000000000002 110.669 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.06 -46.33 91.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.909 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.93 -43.02 99.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.299 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.481 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.8 p -63.7 -45.98 87.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.152 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 37.7 t -62.39 -49.48 75.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.683 ' CE ' HH12 ' C' ' 19' ' ' ARG . 53.2 ttp -57.32 -48.14 79.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.494 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.33 -44.74 96.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.105 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.24 80.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -58.71 -44.94 90.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.482 ' OE1' ' O ' ' B' ' 85' ' ' MET . 1.2 mp0 -61.02 -44.16 97.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.162 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.26 -42.36 96.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 110.036 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.635 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 77.7 mt -59.9 -41.57 86.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.195 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.471 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 98.2 m -57.3 -45.68 83.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.07 0.462 . . . . 0.0 109.879 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.61 -43.9 95.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.485 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 87.5 mt -59.22 -44.43 92.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.38 -42.84 95.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.49 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.41 -40.66 91.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.3 -42.16 99.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.835 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.5 m80 -59.75 -40.52 88.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' B' ' 102' ' ' LYS . 83.6 tt0 -62.38 -40.6 96.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.118 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.71 -38.7 91.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.165 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 39.5 mt -64.35 -42.05 96.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.386 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' B' ' 99' ' ' GLU . 65.0 mttp -91.62 141.73 28.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.618 -179.894 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.85 139.0 58.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.638 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.2 mm-40 -61.8 136.99 58.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.385 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.586 ' O ' HG23 ' C' ' 8' ' ' VAL . 93.4 mt -37.75 -37.19 0.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.442 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.29 -46.02 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 1.9399999999999999 110.405 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' C' ' 3' ' ' GLU . 78.5 mm-40 -68.61 -34.41 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.349 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.11 -42.89 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.588 HG21 HG13 ' C' ' 73' ' ' VAL . 78.8 t -61.4 -43.2 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.997 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -59.4 -41.69 90.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.567 -0.531 . . . . 0.17999999999999999 109.567 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.23 -41.83 96.63 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.69 -42.9 99.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.421 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.86 -43.98 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.29999999999999999 109.713 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.1 -44.49 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 0.02 110.071 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.511 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 47.2 t-20 -60.79 -46.62 89.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.789 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 m -59.76 -43.56 94.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.223 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.36 -42.12 99.24 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.159 -1.177 . . . . 0.0 110.159 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -64.14 -45.0 90.41 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.56 -49.66 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.683 HH12 ' CE ' ' B' ' 85' ' ' MET . 73.7 ttt180 -60.0 -47.31 86.34 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -54.27 -43.62 71.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.29 -42.6 99.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.692 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.625 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.32 -49.98 75.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.91 -42.38 93.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.485 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.19 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.728 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.71 86.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.631 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.28 -45.41 94.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.478 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.76 -41.98 74.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.577 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.34 -41.39 96.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.898 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -42.65 93.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.773 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.69 -29.12 69.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.047 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.44 -4.81 55.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.45 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.8 14.7 69.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -98.32 79.44 2.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.73 0.3 . . . . 0.0 110.256 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -64.71 -34.5 78.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.585 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.87 77.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.962 0.41 . . . . 0.0 110.622 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.23 80.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.381 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.76 -48.3 79.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.451 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.12 -42.58 99.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.583 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.8 99.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.756 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.9 mmm -65.55 -40.67 93.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 0.0 110.588 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.495 ' O ' ' OG ' ' C' ' 44' ' ' SER . 91.4 mmm -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.613 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.61 -43.52 98.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.402 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.96 -40.54 97.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.495 ' OG ' ' O ' ' C' ' 41' ' ' MET . 80.3 p -61.86 -45.47 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.34 -42.03 94.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.399 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 89.0 mmm -61.91 -42.65 99.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.382 0.61 . . . . 0.0 110.521 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.21 95.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.351 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.15 -40.04 93.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.781 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.06 -41.35 96.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.359 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.44 -40.26 93.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.095 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.511 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.64 -45.26 75.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.41 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.73 ' CD2' HD22 ' D' ' 312' ' ' ASN . 84.2 t60 -60.96 -39.6 90.14 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.02 -0.537 . . . . 0.089999999999999997 110.342 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.47 -44.08 96.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.311 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.76 -43.52 93.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.922 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.411 ' NE2' HD23 ' C' ' 74' ' ' LEU . 67.2 tp60 -59.45 -44.33 92.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.259 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.975 HG21 HG22 ' D' ' 356' ' ' THR . 19.4 m -56.25 -42.8 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.386 . . . . 0.059999999999999998 110.108 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.81 -39.73 90.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.359 . . . . 0.0 110.49 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' C' ' 4' ' ' LEU . 98.7 mt -65.72 -38.1 88.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.772 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.14 -37.31 52.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.047 -0.524 . . . . 0.059999999999999998 110.82 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.552 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.8 mm-40 -80.25 -15.01 57.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.462 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.93 -20.63 23.27 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -93.0 -25.46 17.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.499 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.89 89.81 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.91 -176.87 36.59 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -72.52 117.71 14.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.595 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.85 1.39 89.57 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.75 148.12 25.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.617 0.246 . . . . 0.0 110.545 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.5 mtm -76.81 143.53 39.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -88.26 -7.75 56.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 48.2 t -99.44 115.08 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.722 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.602 ' O ' HG23 ' C' ' 75' ' ' VAL . 12.6 p -127.18 165.37 19.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.534 -179.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.616 HD21 ' HG ' ' B' ' 72' ' ' LEU . 14.3 mt -62.03 -44.38 96.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.682 -177.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.588 HG13 HG21 ' C' ' 8' ' ' VAL . 67.8 t -65.58 -47.33 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 130.066 3.346 . . . . 0.0 110.64 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.411 HD23 ' NE2' ' C' ' 55' ' ' GLN . 89.0 mt -66.67 -42.05 87.16 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.193 -0.458 . . . . 0.11 110.969 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.602 HG23 ' O ' ' C' ' 71' ' ' SER . 54.3 t -60.76 -47.31 93.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.778 -0.647 . . . . 0.40000000000000002 110.272 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -60.11 -46.74 88.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.868 -0.333 . . . . 1.02 110.304 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -45.18 94.38 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.916 0.389 . . . . 0.059999999999999998 110.413 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -61.13 -39.06 88.61 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.201 -0.454 . . . . 1.0900000000000001 110.281 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.473 ' O ' HG23 ' C' ' 83' ' ' THR . 41.4 tp -55.76 -46.85 77.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -67.32 -45.5 76.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.31 -0.405 . . . . 0.080000000000000002 110.701 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.68 -46.05 91.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.875 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -61.85 -43.15 99.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.332 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.473 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.6 p -63.89 -45.39 89.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.162 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 38.6 t -63.28 -48.79 76.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.495 ' O ' ' OE1' ' C' ' 89' ' ' GLU . 53.5 ttp -57.9 -47.97 81.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.527 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.48 -44.69 96.64 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.63 78.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.016 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -58.42 -45.17 88.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.224 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' C' ' 85' ' ' MET . 1.2 mp0 -60.73 -44.29 96.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.126 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.39 -42.39 96.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.23 0.538 . . . . 0.0 110.029 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.625 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 76.2 mt -59.78 -41.63 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.374 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.485 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 97.8 m -57.18 -45.63 83.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.08 0.467 . . . . 0.0 109.981 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.71 -43.61 96.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.48 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 87.7 mt -59.6 -44.12 93.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.45 -43.08 96.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.531 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.9 -40.9 90.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.722 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.04 -42.74 99.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.91 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 67.9 m80 -59.27 -40.62 86.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.735 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.5 tt0 -62.3 -40.85 97.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.068 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.34 -38.66 91.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.229 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.33 -42.36 96.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.339 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.7 mttp -91.32 141.81 28.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.361 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.461 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.535 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.695 0 CA-C-O 121.846 0.831 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.1 t80 -139.77 142.99 36.71 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.92 156.33 38.71 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.0 -1.063 . . . . 0.0 109.548 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.2 149.19 28.46 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.33 18.93 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.047 -1.033 . . . . 0.0 108.395 178.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.89 144.31 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.73 136.57 37.07 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.162 0.982 . . . . 0.0 110.122 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.88 114.31 24.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.85 -4.32 19.37 Favored 'General case' 0 C--N 1.264 -3.134 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.815 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.82 85.75 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 119.726 -1.859 . . . . 0.0 110.654 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.49 -47.69 12.83 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 124.802 3.668 . . . . 0.0 114.141 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.73 HD22 ' CD2' ' C' ' 52' ' ' HIS . 10.6 m120 -102.17 27.61 6.53 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 116.043 -2.263 . . . . 0.0 108.745 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' D' ' 310' ' ' ALA . . . 71.5 -95.18 0.6 Allowed Glycine 0 N--CA 1.497 2.732 0 C-N-CA 117.685 -2.198 . . . . 0.0 109.55 -175.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.524 ' CD1' ' O ' ' D' ' 314' ' ' LEU . 0.8 OUTLIER -170.0 57.2 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.865 -1.374 . . . . 0.0 109.521 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.457 ' O ' ' O ' ' D' ' 314' ' ' LEU . 0.4 OUTLIER -52.05 -174.89 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 117.877 -1.529 . . . . 0.0 112.13 -178.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.483 ' OG1' ' O2 ' ' D' ' 200' ' ' PO3 . 12.3 p -28.84 -66.78 0.08 Allowed 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -176.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' D' ' 316' ' ' THR . 37.9 ttt-85 -42.67 -66.97 0.37 Allowed Pre-proline 0 N--CA 1.493 1.718 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.495 -177.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.37 -32.17 61.24 Favored 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.568 1.512 . . . . 0.0 111.534 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.478 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.02 -38.87 86.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.254 -0.903 . . . . 0.0 109.451 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.85 -39.73 72.75 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.97 -39.37 93.97 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 118.024 -1.471 . . . . 0.0 109.503 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.67 -45.34 93.23 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 122.593 1.187 . . . . 0.0 108.705 -177.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.478 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.6 t -62.63 -42.24 95.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.276 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.726 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.404 ' CE ' ' CD1' ' A' ' 13' ' ' ILE . 60.0 mttm -63.83 -40.24 96.12 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.323 -0.861 . . . . 0.0 109.811 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.528 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.75 80.0 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.473 -0.767 . . . . 0.0 109.578 177.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.04 91.76 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.575 -1.328 . . . . 0.0 109.426 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.23 -16.29 43.56 Favored 'General case' 0 N--CA 1.511 2.577 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.51 86.1 Favored Glycine 0 N--CA 1.479 1.543 0 O-C-N 119.905 -1.747 . . . . 0.0 109.318 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.421 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.25 32.97 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.242 -1.74 . . . . 0.0 110.013 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.53 -30.17 59.68 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.193 -0.942 . . . . 0.0 112.285 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.66 158.52 9.97 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 119.742 -1.849 . . . . 0.0 112.81 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.19 35.3 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 102.85 -3.018 . . . . 0.0 102.85 171.224 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.67 136.61 60.31 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 CA-C-O 122.185 0.993 . . . . 0.0 109.325 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.96 143.17 51.02 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 123.137 1.446 . . . . 0.0 109.991 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.2 t -108.01 129.99 61.26 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 N-CA-C 105.507 -2.034 . . . . 0.0 105.507 173.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.52 119.6 26.41 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.838 -1.164 . . . . 0.0 108.927 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.57 122.57 39.18 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.921 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.86 38.86 24.53 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.899 -1.126 . . . . 0.0 112.762 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 11.02 83.55 Favored Glycine 0 N--CA 1.503 3.106 0 O-C-N 119.95 -1.719 . . . . 0.0 112.534 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.83 136.27 54.54 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.79 158.57 33.02 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-O 123.802 1.763 . . . . 0.0 112.448 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.4 31.39 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.442 -2.163 . . . . 0.0 108.581 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.61 136.08 48.91 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.07 -6.76 47.7 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 120.751 -1.218 . . . . 0.0 110.691 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.48 12.9 31.76 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.59 -1.319 . . . . 0.0 109.406 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 37.0 t -133.01 104.19 6.42 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.158 0.98 . . . . 0.0 110.106 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.22 -37.89 72.92 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.007 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -58.92 -51.3 70.65 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.549 -1.345 . . . . 0.0 113.05 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.45 70.48 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.588 -1.945 . . . . 0.0 109.199 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 mt -62.72 -33.81 75.87 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.965 -1.094 . . . . 0.0 109.902 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.552 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.4 tp60 -67.72 -10.32 51.49 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.636 -0.665 . . . . 0.0 109.973 -177.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.3 p -89.84 -7.69 53.73 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 118.052 -1.459 . . . . 0.0 110.961 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.33 159.36 15.3 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.248 -0.907 . . . . 0.0 110.197 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.82 2.97 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 106.897 -2.481 . . . . 0.0 106.897 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' D' ' 361' ' ' VAL . 78.1 mt -119.59 47.44 1.71 Allowed 'General case' 0 C--N 1.309 -1.18 0 O-C-N 120.726 -1.456 . . . . 0.0 107.431 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.975 HG22 HG21 ' C' ' 56' ' ' THR . 5.0 p -81.49 172.48 13.46 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.196 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.62 140.91 57.23 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.851 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.22 79.01 Favored Glycine 0 N--CA 1.5 2.931 0 C-N-CA 120.029 -1.082 . . . . 0.0 111.35 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.45 135.95 34.05 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.917 -1.343 . . . . 0.0 110.601 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.3 t -96.49 123.72 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.3 m -112.22 160.11 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 117.328 -1.749 . . . . 0.0 110.578 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.3 m -108.89 128.38 54.87 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.536 -1.352 . . . . 0.0 107.646 175.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.83 121.36 60.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 176.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.21 50.7 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.63 153.4 47.32 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.828 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.85 6.44 Favored 'General case' 0 C--N 1.288 -2.093 0 C-N-CA 118.561 -1.255 . . . . 0.0 107.994 178.173 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.37 40.14 Favored Glycine 0 C--N 1.296 -1.658 0 C-N-CA 117.955 -2.069 . . . . 0.0 110.362 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.29 -40.7 82.62 Favored 'General case' 0 C--N 1.274 -2.675 0 CA-C-N 114.381 -0.909 . . . . 0.0 112.16 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.7 3.57 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 115.864 -2.334 . . . . 0.0 108.59 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.45 65.71 Favored 'General case' 0 N--CA 1.522 3.138 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -174.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.472 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.69 26.86 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 119.619 -1.925 . . . . 0.0 110.926 -176.59 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.81 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.47 -40.77 98.01 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 106.978 -1.489 . . . . 0.0 106.978 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.55 77.45 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 117.478 -1.689 . . . . 0.0 110.054 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.84 -42.15 88.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-O 122.172 0.987 . . . . 0.0 109.295 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -55.89 -47.93 76.52 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-O 122.097 0.951 . . . . 0.0 108.708 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.81 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.85 -38.27 76.41 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.684 -178.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.437 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.69 -28.57 58.7 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.331 -1.481 . . . . 0.0 110.839 -174.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.52 71.08 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.94 -49.22 63.04 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.528 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.24 -45.26 84.09 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 119.044 -1.062 . . . . 0.0 110.485 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.34 -37.38 85.44 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.924 -1.11 . . . . 0.0 111.558 -177.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.66 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.132 -0.98 . . . . 0.0 110.275 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.88 -32.24 45.82 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.575 -0.703 . . . . 0.0 111.354 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.14 125.5 12.44 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 124.302 2.001 . . . . 0.0 112.843 178.705 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.815 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.4 mm-40 . . . . . 0 C--N 1.277 -2.557 0 CA-C-N 111.055 -2.793 . . . . 0.0 110.15 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.483 ' O2 ' ' OG1' ' D' ' 316' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -71.49 151.35 43.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.486 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.6 mt-10 -62.31 -70.14 0.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.475 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.5 mt -37.6 -38.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.441 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.36 -46.33 80.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.919 0.39 . . . . 1.9399999999999999 110.276 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' GLU . 79.5 mm-40 -67.72 -37.08 81.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.276 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.5 -42.3 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.427 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 4' ' ' LEU . 73.0 t -60.49 -44.34 96.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.912 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.7 mtp -58.94 -42.42 89.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.514 -0.55 . . . . 0.17999999999999999 109.514 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.21 -41.98 98.11 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.2 -43.33 98.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.14 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.16 -44.43 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.20000000000000001 109.733 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.75 -43.93 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.01 109.955 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -61.49 -46.28 90.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.786 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -61.05 -43.56 98.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.951 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.578 ' C ' ' HE ' ' D' ' 317' ' ' ARG . . . -64.02 -44.82 95.34 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.134 -1.187 . . . . 0.0 110.134 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -63.51 -44.25 94.86 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.1 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.868 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.52 -46.74 87.98 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.8 m -55.13 -44.74 75.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.72 -42.81 97.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.724 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.539 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.21 -51.37 70.27 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.52 -41.29 89.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.587 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.85 89.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.775 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.69 88.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.671 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.12 -45.1 96.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.477 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.56 -42.34 74.53 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.74 -40.9 94.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.823 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.45 94.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.689 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.6 -28.7 69.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.187 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -81.9 -4.67 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.447 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.51 59.93 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -102.32 77.93 1.7 Allowed 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.75 0.31 . . . . 0.0 110.246 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CE1' ' OE1' ' A' ' 99' ' ' GLU . 91.7 m-85 -65.21 -33.79 76.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.652 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.02 -48.34 79.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.115 0.483 . . . . 0.0 110.745 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.31 80.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.369 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.25 77.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.606 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.21 -43.83 98.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.63 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.65 98.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.821 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.1 mtt -65.4 -40.3 93.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.455 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.454 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 89.3 mmm -63.62 -41.4 98.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.59 -45.24 93.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.032 0.444 . . . . 0.0 110.555 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.9 -41.5 97.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.247 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 m -61.4 -45.37 94.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' HA ' HH11 ' A' ' 88' ' ' ARG . 70.9 ttt180 -60.82 -42.74 98.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.306 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.77 -44.22 97.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.209 0.528 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.616 HD21 ' OG ' ' A' ' 84' ' ' SER . 11.9 mt -66.0 -39.97 90.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.758 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.16 -42.71 95.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.267 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.74 -39.26 93.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.198 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -44.25 77.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.462 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -62.08 -38.83 90.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.089999999999999997 110.363 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.6 mt -60.65 -44.23 96.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.347 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.16 -43.3 95.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 0.0 110.013 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -60.13 -43.34 95.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.221 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.6 m -57.03 -42.84 81.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.059999999999999998 109.979 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.6 -39.41 93.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.956 0.408 . . . . 0.0 110.56 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.531 HD22 ' CD2' ' A' ' 4' ' ' LEU . 97.8 mt -62.97 -28.28 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.687 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -89.87 -31.17 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.050000000000000003 110.8 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' A' ' 61' ' ' GLY . 80.4 mm-40 -81.69 -7.0 59.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.601 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 60' ' ' GLU . . . -48.85 -174.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -88.42 107.87 19.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.581 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.64 144.49 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.48 164.06 48.58 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.71 117.06 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 110.715 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.53 7.74 88.27 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -97.85 147.8 24.06 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.629 0.252 . . . . 0.0 110.451 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.8 mtt -76.53 152.43 36.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -77.05 -6.65 53.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.949 0.404 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 m -107.9 131.41 58.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.726 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 p -130.16 162.86 27.9 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.06 -42.02 84.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.596 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.617 HG13 HG21 ' A' ' 8' ' ' VAL . 67.1 t -64.4 -46.53 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.896 0.379 . . . . 0.0 110.551 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.09 -42.42 96.94 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.996 0.427 . . . . 0.11 110.879 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.93 -47.08 93.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.793 -0.64 . . . . 0.38 110.233 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -60.15 -45.26 93.67 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.29 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.81 89.87 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.772 0.32 . . . . 0.059999999999999998 110.6 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -61.97 -39.91 93.78 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 116.179 -0.464 . . . . 1.0900000000000001 110.17 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.718 HD21 ' SD ' ' C' ' 82' ' ' MET . 40.8 tp -56.22 -46.54 79.48 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.375 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.604 ' NE2' ' O3 ' ' D' ' 200' ' ' PO3 . 73.8 m-70 -67.68 -46.17 73.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.296 -0.411 . . . . 0.080000000000000002 110.723 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.06 -46.56 88.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.782 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.5 ' SD ' HD21 ' B' ' 79' ' ' LEU . 80.7 mtp -61.07 -43.91 98.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.195 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.7 p -61.27 -44.45 97.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.109 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.616 ' OG ' HD21 ' A' ' 48' ' ' LEU . 45.0 t -62.76 -47.75 82.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.452 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -57.21 -48.11 79.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.449 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.04 -44.15 97.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.924 0.392 . . . . 0.0 110.16 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -46.2 89.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.819 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.424 HH11 ' HA ' ' A' ' 45' ' ' ARG . 55.2 ttp180 -58.48 -46.69 86.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.141 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.74 -43.56 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.017 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.55 -43.38 94.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.197 0.522 . . . . 0.0 109.96 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.539 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 77.6 mt -61.04 -42.92 94.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.318 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.454 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 20.0 m -57.03 -46.11 82.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.433 . . . . 0.0 109.85 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.545 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.4 mt-10 -63.38 -42.66 98.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.537 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.2 mt -60.05 -42.78 95.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.57 -42.79 92.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.552 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.572 ' OE1' ' NZ ' ' B' ' 30' ' ' LYS . 85.2 tt0 -63.24 -37.62 87.95 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.8 mt -63.38 -41.45 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.901 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -60.4 -39.3 86.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.563 ' OE1' ' CE1' ' A' ' 34' ' ' PHE . 50.7 tp10 -59.56 -39.16 83.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.167 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.02 -35.38 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.189 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.97 -2.55 51.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.406 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.1 mttp 56.83 24.96 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.508 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.872 -1.061 . . . . 0.0 110.556 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.83 151.04 43.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.555 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.5 mt-10 -61.93 -70.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.484 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.7 mt -37.54 -38.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.32 -46.44 80.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 1.9399999999999999 110.292 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' B' ' 3' ' ' GLU . 79.6 mm-40 -67.6 -36.98 81.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.18 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.412 HG11 HD11 ' B' ' 58' ' ' LEU . 79.6 t -63.53 -42.58 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 4' ' ' LEU . 69.2 t -60.31 -44.29 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.873 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.7 mtp -59.19 -42.08 90.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.561 -0.533 . . . . 0.17999999999999999 109.561 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.52 -41.84 97.75 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.4 -43.02 98.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.737 0.303 . . . . 0.0 110.302 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.64 -44.23 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.28999999999999998 109.672 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.67 -44.15 98.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.02 109.921 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -61.22 -46.24 91.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.808 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -61.31 -43.59 98.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.109 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.87 -44.48 96.05 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -63.79 -44.49 93.21 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.13 74.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.955 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.35 -46.68 87.94 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -55.29 -44.59 75.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.87 -42.94 97.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.664 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.537 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -59.07 -51.37 70.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.4 -41.35 89.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.701 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.4 89.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.782 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.47 86.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.619 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.67 -44.84 96.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.327 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.87 -42.0 75.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.75 -41.25 95.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.857 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.59 93.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.673 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' OE1' ' A' ' 96' ' ' GLU . 68.0 mttm -61.51 -28.96 69.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.047 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -81.79 -4.77 57.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.98 17.31 59.68 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -102.43 77.62 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 0.0 110.257 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.57 ' CE1' ' OE1' ' B' ' 99' ' ' GLU . 91.9 m-85 -64.92 -34.05 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.77 77.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.012 0.434 . . . . 0.0 110.766 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.21 80.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.455 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.19 77.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.502 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.48 -43.86 98.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.556 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.03 97.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.17 -40.49 94.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.448 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 89.8 mmm -63.45 -41.55 98.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.584 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.44 -45.4 93.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.481 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.81 -41.18 97.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.293 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -61.95 -45.24 94.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.491 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.427 ' HA ' HH11 ' B' ' 88' ' ' ARG . 70.3 ttt180 -60.72 -42.8 97.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.247 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 66.2 ttp -60.63 -44.35 96.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.312 0.577 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.41 98.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.129 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.609 HD21 ' OG ' ' B' ' 84' ' ' SER . 11.8 mt -65.91 -39.97 91.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.745 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.22 -42.72 95.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.38 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.55 -39.38 93.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.191 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.37 78.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.462 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -62.2 -38.68 90.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.089999999999999997 110.253 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.82 -44.05 97.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.398 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.23 -43.32 95.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.958 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.07 -43.52 95.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 99.6 m -56.98 -42.8 80.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.059999999999999998 109.991 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -39.24 93.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.535 HD22 ' CD2' ' B' ' 4' ' ' LEU . 97.4 mt -63.12 -28.11 69.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.739 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -89.71 -31.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 0.040000000000000001 110.721 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' B' ' 61' ' ' GLY . 80.5 mm-40 -81.56 -7.28 59.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' B' ' 60' ' ' GLU . . . -48.09 -174.31 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -88.52 107.89 19.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.334 . . . . 0.0 110.565 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.55 144.61 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.424 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.69 163.98 49.31 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.55 116.79 12.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.763 0.316 . . . . 0.0 110.717 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.06 7.59 88.39 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -97.84 148.0 23.85 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.634 0.255 . . . . 0.0 110.521 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 66.5 mtt -76.71 152.87 35.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.643 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -77.48 -6.08 52.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 m -108.98 131.04 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.777 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.402 ' O ' HG23 ' B' ' 75' ' ' VAL . 19.1 p -129.68 164.5 23.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.489 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.42 -41.62 94.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.626 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.61 HG13 HG21 ' B' ' 8' ' ' VAL . 60.5 t -63.47 -45.46 97.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.608 -178.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.98 -41.67 95.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.11 110.962 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 71' ' ' SER . 53.7 t -60.2 -47.27 92.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.843 -0.617 . . . . 0.38 110.296 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.456 ' CE1' ' CD2' ' B' ' 80' ' ' HIS . 59.2 t-80 -59.92 -45.76 91.55 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.838 -0.345 . . . . 1.1100000000000001 110.325 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.89 92.02 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.895 0.378 . . . . 0.059999999999999998 110.41 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -62.24 -40.45 96.21 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.12 -0.491 . . . . 1.0900000000000001 110.271 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.528 ' O ' HG23 ' B' ' 83' ' ' THR . 40.7 tp -55.61 -46.55 77.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.336 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.456 ' CD2' ' CE1' ' B' ' 76' ' ' HIS . 74.6 m-70 -67.69 -46.4 72.39 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.763 -0.375 . . . . 0.080000000000000002 110.705 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.77 -46.78 88.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.797 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.484 ' SD ' HD21 ' C' ' 79' ' ' LEU . 80.4 mtp -60.91 -44.03 97.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.227 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.528 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.1 p -61.16 -44.11 97.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.152 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.609 ' OG ' HD21 ' B' ' 48' ' ' LEU . 43.8 t -63.15 -47.33 83.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.645 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.6 -47.92 80.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.522 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.02 -44.25 97.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 110.111 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.54 88.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.9 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' B' ' 45' ' ' ARG . 55.1 ttp180 -58.22 -47.1 84.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.208 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.25 -43.43 98.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.177 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.75 -43.33 93.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.135 0.493 . . . . 0.0 110.057 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.537 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 76.7 mt -60.96 -42.84 94.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.174 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.448 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 19.5 m -57.28 -46.13 83.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.072 0.463 . . . . 0.0 109.842 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.2 mt-10 -63.19 -43.02 99.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.513 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.545 HD13 ' OE1' ' A' ' 93' ' ' GLU . 77.0 mt -59.58 -43.05 93.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.45 -43.12 93.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.494 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' C' ' 30' ' ' LYS . 84.9 tt0 -62.78 -38.16 89.52 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' B' ' 97' ' ' LEU . 34.5 mt -62.86 -41.72 99.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.769 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -60.08 -39.69 86.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.57 ' OE1' ' CE1' ' B' ' 34' ' ' PHE . 50.9 tp10 -59.34 -39.11 82.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.088 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.14 -35.32 80.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.141 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.5 -3.08 52.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.386 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.1 mttp 56.83 25.29 10.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.549 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -71.69 151.42 43.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.7 mt-10 -62.16 -70.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.343 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.67 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.5 mt -37.72 -38.49 0.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.407 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.45 -46.31 80.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 1.9399999999999999 110.376 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' C' ' 3' ' ' GLU . 79.5 mm-40 -67.68 -37.27 82.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.342 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.403 HG11 HD11 ' C' ' 58' ' ' LEU . 79.1 t -62.89 -42.92 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.67 HG23 ' O ' ' C' ' 4' ' ' LEU . 69.5 t -60.02 -44.35 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.019 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -59.34 -41.62 89.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.608 -0.515 . . . . 0.17999999999999999 109.608 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.64 -42.18 97.42 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.88 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.325 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.08 -44.55 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.29999999999999999 109.75 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.66 -43.95 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.969 -0.56 . . . . 0.02 110.08 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -61.44 -45.85 92.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.798 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -61.61 -43.7 98.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.139 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.87 -44.27 96.36 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -63.79 -43.97 94.77 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.91 75.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.765 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -59.84 -46.44 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -55.43 -44.6 76.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.71 -43.09 97.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.723 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.54 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.01 -51.4 70.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.41 -41.6 89.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.562 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.28 88.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 -42.66 86.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.567 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.32 -45.21 95.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.392 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.52 -42.37 74.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.88 -40.66 93.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.937 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.6 94.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.783 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' B' ' 96' ' ' GLU . 68.0 mttm -61.75 -28.95 69.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.074 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -81.32 -4.95 57.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.517 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.85 17.5 59.61 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -102.3 78.17 1.72 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.725 0.298 . . . . 0.0 110.211 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.564 ' CE1' ' OE1' ' C' ' 99' ' ' GLU . 91.1 m-85 -65.58 -33.84 76.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.509 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.22 79.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.042 0.449 . . . . 0.0 110.744 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.38 80.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.36 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.19 -48.06 77.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.473 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.41 -43.71 98.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.617 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.96 97.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.776 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.5 mtt -65.06 -40.38 94.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.465 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 89.8 mmm -63.72 -41.44 98.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.66 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.45 -45.42 93.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.368 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.0 -40.89 97.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.3 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 63.4 m -61.86 -45.49 93.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.427 ' HA ' HH11 ' C' ' 88' ' ' ARG . 70.6 ttt180 -60.57 -42.91 97.59 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.32 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.69 -44.09 96.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.308 0.575 . . . . 0.0 110.527 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.02 97.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.304 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.612 HD21 ' OG ' ' C' ' 84' ' ' SER . 11.8 mt -65.66 -39.87 91.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.34 -42.69 96.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.269 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.49 -39.57 94.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.004 0.43 . . . . 0.0 110.004 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -44.39 77.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.421 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -61.82 -38.76 89.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.089999999999999997 110.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 53' ' ' LEU . 43.5 mt -61.22 -43.59 98.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.314 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.64 -43.03 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.922 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -60.21 -43.7 95.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.233 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 1.027 HG21 HG22 ' D' ' 356' ' ' THR . 99.1 m -56.96 -42.84 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.059999999999999998 110.174 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.58 -39.1 92.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 110.506 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.529 HD22 ' CD2' ' C' ' 4' ' ' LEU . 97.6 mt -62.95 -28.36 70.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.811 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -89.7 -31.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.977 -0.556 . . . . 0.059999999999999998 110.831 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.539 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 -81.66 -7.05 59.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.505 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . 0.503 ' O ' ' O ' ' C' ' 60' ' ' GLU . . . -48.4 -174.05 0.01 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -88.74 108.01 19.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.497 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.62 144.21 51.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.32 164.37 47.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.88 116.82 12.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.771 0.32 . . . . 0.0 110.624 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.03 7.52 88.44 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -97.58 148.37 23.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.662 0.267 . . . . 0.0 110.629 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -77.1 153.06 34.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -77.69 -5.94 52.22 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.7 m -108.81 130.54 61.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.724 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.418 ' O ' HG23 ' C' ' 75' ' ' VAL . 18.0 p -128.31 166.89 17.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.557 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 72' ' ' LEU . 74.9 mt -62.26 -41.34 98.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.67 -177.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.56 HG13 HG21 ' C' ' 8' ' ' VAL . 59.3 t -64.29 -46.35 93.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 130.153 3.381 . . . . 0.0 110.627 -178.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.52 -41.72 88.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.222 -0.444 . . . . 0.11 111.004 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.418 HG23 ' O ' ' C' ' 71' ' ' SER . 54.7 t -60.11 -48.09 89.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.821 -0.627 . . . . 0.40000000000000002 110.255 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.446 ' CE1' ' CD2' ' C' ' 80' ' ' HIS . 59.1 t-80 -59.74 -45.55 91.86 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.914 -0.314 . . . . 1.02 110.268 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.58 91.41 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.934 0.397 . . . . 0.059999999999999998 110.412 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -62.4 -39.79 94.4 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.243 -0.435 . . . . 1.0900000000000001 110.244 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.526 ' O ' HG23 ' C' ' 83' ' ' THR . 40.6 tp -56.26 -46.67 79.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.426 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.446 ' CD2' ' CE1' ' C' ' 76' ' ' HIS . 74.7 m-70 -67.63 -46.34 72.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.325 -0.398 . . . . 0.080000000000000002 110.64 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.81 -46.57 88.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.796 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . 0.718 ' SD ' HD21 ' A' ' 79' ' ' LEU . 80.1 mtp -61.15 -43.63 98.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.526 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.2 p -61.58 -43.94 97.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.192 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . 0.612 ' OG ' HD21 ' C' ' 48' ' ' LEU . 40.5 t -63.31 -47.36 82.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -57.39 -48.09 79.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.504 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.14 -44.32 97.52 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.148 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.62 87.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.01 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' C' ' 45' ' ' ARG . 55.3 ttp180 -58.02 -47.47 82.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.248 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.8 -43.64 97.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.156 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.69 -43.67 92.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.158 0.504 . . . . 0.0 109.98 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.54 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 76.8 mt -60.52 -42.86 92.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.423 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.465 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 19.4 m -57.32 -45.95 83.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.024 0.44 . . . . 0.0 109.963 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.47 -42.96 98.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.521 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' B' ' 93' ' ' GLU . 75.8 mt -59.44 -43.02 93.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.4 -43.37 93.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.588 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.42 -38.19 88.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.713 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.79 -41.86 99.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.879 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -59.82 -39.75 86.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.711 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.564 ' OE1' ' CE1' ' C' ' 34' ' ' PHE . 50.6 tp10 -59.5 -39.15 82.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.094 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.97 -35.2 79.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.245 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 88.9 mt -81.88 -3.15 53.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 57.26 24.97 10.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.564 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.66 0 CA-C-O 121.908 0.861 . . . . 0.0 108.944 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.74 143.04 36.8 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.31 38.51 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.96 -1.088 . . . . 0.0 109.537 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.18 28.52 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.4 18.89 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.999 -1.063 . . . . 0.0 108.396 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.89 144.35 19.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.7 136.61 36.98 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.126 0.965 . . . . 0.0 110.116 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.97 114.33 24.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.92 -4.28 19.31 Favored 'General case' 0 C--N 1.265 -3.074 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.821 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.87 85.85 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.644 -1.91 . . . . 0.0 110.579 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.51 -47.69 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 124.812 3.674 . . . . 0.0 114.137 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -102.18 27.62 6.52 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 116.039 -2.265 . . . . 0.0 108.775 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 66.82 -123.11 21.44 Favored Glycine 0 N--CA 1.496 2.681 0 C-N-CA 117.638 -2.22 . . . . 0.0 109.63 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.16 80.94 1.91 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.914 -1.345 . . . . 0.0 109.485 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.409 ' O ' ' HD2' ' D' ' 318' ' ' PRO . 0.3 OUTLIER -88.06 175.61 7.67 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 117.88 -1.528 . . . . 0.0 112.071 -179.353 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 11.4 p -22.04 -66.51 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.578 ' HE ' ' C ' ' A' ' 16' ' ' GLY . 9.3 ttt-85 -48.52 -65.68 0.73 Allowed Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 120.139 -0.625 . . . . 0.0 112.493 -177.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' D' ' 315' ' ' HIS . 20.8 Cg_endo -64.78 -32.21 56.66 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 121.26 1.306 . . . . 0.0 111.513 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.507 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.8 86.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.233 -0.917 . . . . 0.0 109.518 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.82 72.58 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -63.93 -39.45 94.19 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.026 -1.47 . . . . 0.0 109.441 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.62 -45.39 93.06 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.627 1.203 . . . . 0.0 108.7 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.507 HG23 ' O ' ' D' ' 319' ' ' ALA . 62.7 t -62.54 -42.37 95.6 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.32 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.609 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -63.75 -40.41 96.64 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.247 -0.908 . . . . 0.0 109.796 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.68 -39.77 80.42 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.464 -0.773 . . . . 0.0 109.597 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.99 -44.09 91.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.655 -1.278 . . . . 0.0 109.392 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.25 -16.27 43.62 Favored 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.63 86.03 Favored Glycine 0 N--CA 1.478 1.491 0 O-C-N 119.939 -1.726 . . . . 0.0 109.338 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.45 143.35 32.82 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.262 -1.728 . . . . 0.0 110.046 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.6 p -75.53 -30.07 59.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.178 -0.951 . . . . 0.0 112.394 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.73 158.6 10.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 119.855 -1.778 . . . . 0.0 112.761 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.588 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.02 130.27 35.34 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 102.782 -3.044 . . . . 0.0 102.782 171.263 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.68 60.11 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 CA-C-O 122.253 1.025 . . . . 0.0 109.289 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.96 143.18 51.02 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-O 123.089 1.423 . . . . 0.0 109.98 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.13 129.97 61.47 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.691 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 173.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.2 m -127.46 119.56 26.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.927 -1.108 . . . . 0.0 108.935 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.63 39.34 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.926 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.67 38.98 24.22 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.857 -1.152 . . . . 0.0 112.798 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 11.09 83.5 Favored Glycine 0 N--CA 1.503 3.123 0 O-C-N 119.91 -1.744 . . . . 0.0 112.5 177.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.3 54.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.76 158.52 33.1 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-O 123.781 1.753 . . . . 0.0 112.432 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.67 151.39 31.41 Favored 'General case' 0 C--N 1.279 -2.5 0 CA-C-N 112.539 -2.119 . . . . 0.0 108.621 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.61 135.92 48.79 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.91 -6.81 47.65 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.658 -1.277 . . . . 0.0 110.731 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.5 12.97 31.55 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.698 -1.251 . . . . 0.0 109.408 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.9 t -133.08 104.18 6.39 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 122.232 1.015 . . . . 0.0 110.193 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.5 tp -57.26 -37.88 73.01 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.952 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -58.95 -51.3 70.64 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.566 -1.334 . . . . 0.0 113.057 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.01 -32.47 70.66 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 119.542 -1.974 . . . . 0.0 109.205 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.85 -33.8 76.01 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.896 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.539 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.1 tp60 -67.57 -10.48 52.24 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.634 -0.666 . . . . 0.0 109.929 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 30.9 p -89.81 -7.65 53.87 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 118.124 -1.43 . . . . 0.0 110.931 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.8 mt -93.4 159.29 15.32 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.208 -0.932 . . . . 0.0 110.152 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.75 104.86 2.97 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 106.916 -2.474 . . . . 0.0 106.916 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.58 47.42 1.71 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.668 -1.489 . . . . 0.0 107.387 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 1.027 HG22 HG21 ' C' ' 56' ' ' THR . 2.0 p -81.42 172.5 13.46 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.222 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.68 140.92 57.3 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.893 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.38 -3.16 79.13 Favored Glycine 0 N--CA 1.501 2.99 0 C-N-CA 120.031 -1.081 . . . . 0.0 111.351 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.43 135.88 34.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.88 -1.365 . . . . 0.0 110.593 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.47 123.75 48.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 106.355 -1.721 . . . . 0.0 106.355 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.23 160.0 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 C-N-CA 117.427 -1.709 . . . . 0.0 110.631 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.87 128.44 54.91 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.598 -1.314 . . . . 0.0 107.592 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.88 121.37 60.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.31 50.71 Favored 'General case' 0 C--N 1.285 -2.223 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 -179.548 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.5 47.2 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.67 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.77 6.4 Favored 'General case' 0 C--N 1.288 -2.07 0 C-N-CA 118.567 -1.253 . . . . 0.0 108.015 178.16 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.37 40.16 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 118.074 -2.013 . . . . 0.0 110.372 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.24 -40.7 82.41 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.418 -0.891 . . . . 0.0 112.224 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.0 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 115.897 -2.321 . . . . 0.0 108.583 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -33.58 65.77 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 -174.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.442 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.97 -45.6 26.97 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.593 -1.942 . . . . 0.0 110.925 -176.486 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.75 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.7 97.72 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.49 77.66 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 117.462 -1.695 . . . . 0.0 110.006 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.81 -42.21 88.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-O 122.185 0.993 . . . . 0.0 109.29 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.88 -47.94 76.48 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 122.037 0.922 . . . . 0.0 108.743 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.75 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.74 -38.38 76.82 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.696 -178.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.6 -28.6 58.96 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.389 -1.444 . . . . 0.0 110.9 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.58 71.27 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.39 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.8 -49.28 63.22 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.3 -45.17 84.44 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.004 -1.078 . . . . 0.0 110.52 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.39 85.51 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.93 -1.106 . . . . 0.0 111.508 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.85 61.61 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.059 -1.025 . . . . 0.0 110.21 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.81 -32.34 46.26 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.496 -0.753 . . . . 0.0 111.369 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.09 125.48 12.32 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 124.288 1.994 . . . . 0.0 112.859 178.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.821 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.565 0 CA-C-N 111.139 -2.755 . . . . 0.0 110.184 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 200' ' ' PO3 . . . . . 0.604 ' O3 ' ' NE2' ' A' ' 80' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_